data_2lhl_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 2lhl _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -146.32 167.9 22.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.47 -27.93 67.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tt -76.15 -46.22 29.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.488 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -57.93 -48.66 79.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.783 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -69.72 -20.86 63.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.609 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.37 -44.59 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.4 mmm -73.6 -30.51 63.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.556 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 78.0 mm-40 -65.76 -20.84 66.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.729 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -82.82 -32.42 27.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.708 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mt -67.55 -46.47 72.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.764 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 tt -66.57 -27.61 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 4.2 m120 -59.36 -39.05 82.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.671 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.504 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 93.2 t -83.56 -27.71 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.702 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -66.24 -62.16 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.542 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.3 p80 -61.43 -12.72 15.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.784 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.84 -54.75 42.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.78 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 2.2 p80 -87.19 -40.73 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.653 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -55.0 -31.69 61.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.7 -53.02 26.13 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -62.63 -75.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -126.17 121.69 33.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.461 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.56 -164.4 36.24 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 26' ' ' TYR . 66.3 m-20 -90.25 13.69 14.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.503 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp 57.16 -75.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.538 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' A' ' 24' ' ' ASP . 88.8 m-85 -63.1 -27.15 69.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.497 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -142.41 -172.89 3.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.442 ' CD1' ' HD1' ' A' ' 18' ' ' HIS . 3.4 tp -139.96 151.28 45.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.522 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -74.76 160.79 30.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -83.12 -22.59 33.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.598 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -56.23 -41.06 75.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -74.39 -29.04 61.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.684 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tp -46.01 -35.83 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.65 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.04 -65.95 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' ' OG1' ' A' ' 39' ' ' THR . 55.3 mp0 -66.41 -42.37 87.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.62 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -47.92 -36.65 12.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.293 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.65 -65.26 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.659 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -64.09 -51.91 61.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 25.7 m -40.73 -45.25 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.788 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.17 -47.09 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' A' ' 42' ' ' SER . 88.1 mt -74.74 -99.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.545 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 1.5 t 74.16 37.39 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.634 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.38 -44.38 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.547 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 58.2 m-85 -69.81 -27.78 65.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.585 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.476 ' CD2' ' H ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -82.47 -4.34 57.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.485 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -85.15 13.19 6.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.59 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.96 -77.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 57.3 51.87 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.609 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -59.38 -37.47 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.95 175.11 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.61 -42.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -61.03 -45.9 92.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.514 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.59 -37.97 73.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.42 -23.81 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.532 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -76.3 -37.5 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -61.16 -56.8 16.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.626 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -55.41 -38.1 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.524 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.6 tpp -77.26 -34.07 55.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.98 -34.0 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.583 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -53.47 -44.14 68.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.578 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.41 -35.22 73.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.608 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.14 -37.63 87.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.06 -74.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -149.88 106.1 3.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.08 20.01 45.7 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.71 102.63 10.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.05 -161.2 33.85 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.427 ' CD ' ' OD2' ' A' ' 24' ' ' ASP . 94.0 mt-10 -138.5 143.14 39.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 110.559 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.1 m -84.42 175.83 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.593 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.551 ' O ' ' N ' ' A' ' 72' ' ' GLN . 55.9 p30 -147.37 54.05 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.698 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 74' ' ' TYR . 40.5 t80 60.73 -70.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.716 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' A' ' 70' ' ' ASP . 34.2 mt-30 -47.36 -37.67 11.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.0 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -82.63 -18.72 40.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.701 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 71' ' ' PHE . 4.2 t80 -89.49 -33.15 16.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.6 m -77.69 -36.05 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 77' ' ' LEU . 6.2 p -66.95 -42.0 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.668 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.471 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 90.6 mt -64.87 -38.57 91.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.686 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.472 ' O ' ' OG1' ' A' ' 82' ' ' THR . 45.2 t -57.37 -31.01 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.702 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.51 30.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.186 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.38 -19.85 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.965 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 94.1 m -61.18 -54.76 40.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.644 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.2 t -66.33 -31.13 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.18 -39.32 69.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.701 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.547 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 3.2 m -102.92 -56.94 2.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.731 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' CYS . 51.9 t-20 -36.6 132.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.694 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -121.0 88.53 2.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -85.78 -77.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.679 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.4 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -146.33 167.96 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.303 . . . . 0.0 110.599 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.54 -27.84 67.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tt -76.26 -46.19 29.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.473 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -57.89 -48.67 79.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.762 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -69.77 -20.87 63.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.63 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.38 -44.56 76.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.5 mmm -73.64 -30.52 62.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.553 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 77.9 mm-40 -65.8 -20.82 66.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.713 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -82.82 -32.36 27.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.751 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mt -67.57 -46.5 72.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.793 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 tt -66.46 -27.72 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.748 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 4.2 m120 -59.26 -39.1 81.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.656 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.502 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 92.8 t -83.57 -27.65 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.726 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -66.31 -62.1 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.757 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.535 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 3.4 p80 -61.4 -12.79 15.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.772 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.78 -54.8 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.753 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' B' ' 14' ' ' VAL . 2.2 p80 -87.17 -40.67 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -55.1 -31.66 61.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.589 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.61 -53.09 26.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -62.61 -75.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.571 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -126.17 121.69 33.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 -164.44 36.27 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' B' ' 26' ' ' TYR . 66.2 m-20 -90.17 13.59 14.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.744 0.306 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp 57.22 -75.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.557 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.576 ' N ' ' O ' ' B' ' 24' ' ' ASP . 88.7 m-85 -63.16 -27.15 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.494 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -142.4 -172.82 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.435 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.457 ' CD1' ' HD1' ' B' ' 18' ' ' HIS . 3.4 tp -140.02 151.3 45.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -74.78 160.85 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.652 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -83.13 -22.59 33.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' B' ' 31' ' ' LYS . 0.4 OUTLIER -56.3 -40.96 75.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -74.4 -29.11 61.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tp -45.95 -35.91 5.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.621 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.04 -65.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.468 ' O ' ' OG1' ' B' ' 39' ' ' THR . 55.2 mp0 -66.41 -42.39 87.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 110.61 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.8 tp -48.01 -36.55 13.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.305 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.76 -65.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.67 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -64.02 -51.95 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 25.9 m -40.75 -45.28 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.17 -47.05 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.402 ' O ' ' CB ' ' B' ' 42' ' ' SER . 88.3 mt -74.78 -99.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.514 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 1.5 t 74.18 37.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.655 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.35 -44.34 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.557 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 58.1 m-85 -69.84 -27.79 65.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.32 . . . . 0.0 110.563 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.466 ' H ' ' CD2' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -82.49 -4.26 57.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.496 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -85.21 13.21 6.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.59 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.02 -77.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 57.29 51.86 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.644 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -59.41 -37.44 78.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.583 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.9 175.04 10.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.58 -42.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -61.01 -45.85 93.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.58 -38.05 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.45 -23.76 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' B' ' 59' ' ' LYS . 39.3 t0 -76.37 -37.44 57.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.589 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -61.15 -56.77 16.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -55.4 -38.14 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 33.6 tpp -77.22 -34.09 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.587 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' B' ' 55' ' ' ASP . 76.1 tttt -57.97 -33.98 69.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.603 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -53.51 -44.17 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.6 mt -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.15 -37.68 88.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.614 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.97 -74.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.495 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 0.2 OUTLIER -149.89 106.11 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.613 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.13 20.04 45.69 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.76 102.62 10.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.764 0.316 . . . . 0.0 110.541 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.05 -161.25 33.91 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.424 ' CD ' ' OD2' ' B' ' 24' ' ' ASP . 94.1 mt-10 -138.48 143.2 39.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.495 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 16.1 m -84.44 175.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' B' ' 72' ' ' GLN . 55.9 p30 -147.42 54.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 40.8 t80 60.75 -70.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.72 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' B' ' 70' ' ' ASP . 34.2 mt-30 -47.46 -37.64 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.025 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -82.63 -18.67 40.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -89.48 -33.18 16.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.6 m -77.66 -36.07 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.608 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' B' ' 77' ' ' LEU . 6.2 p -66.92 -42.01 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.704 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.466 ' N ' ' CG1' ' B' ' 76' ' ' VAL . 90.6 mt -64.86 -38.6 91.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.476 ' O ' ' OG1' ' B' ' 82' ' ' THR . 45.5 t -57.38 -31.02 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.732 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.7 -19.67 30.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.81 -64.78 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.184 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.38 -19.93 65.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.004 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 94.1 m -61.14 -54.74 40.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.7 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.4 t -66.33 -31.16 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.623 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.37 69.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.557 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 3.2 m -102.88 -56.93 2.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.695 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' B' ' 85' ' ' CYS . 52.0 t-20 -36.64 132.34 0.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.664 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -121.01 88.52 2.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -85.77 -77.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.688 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 38.4 t80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.597 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -83.97 153.41 23.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 0.0 110.549 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.13 -33.79 73.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.1 tp -69.66 -34.0 73.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.616 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' B' ' 41' ' ' LEU . 95.6 mt-10 -60.86 -50.2 74.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.713 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -78.65 -20.71 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.76 -43.17 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.527 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 84.7 mmm -75.77 -33.7 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.493 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 95.2 mt-10 -63.79 -28.95 70.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.61 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.8 m -74.97 -30.15 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.51 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.92 -51.37 22.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -64.49 -27.31 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 78.1 m-20 -54.54 -37.76 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.566 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 t -85.37 -25.64 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.559 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.72 -59.46 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.622 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.515 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 5.2 p80 -64.49 -20.14 66.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.51 77.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.733 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -79.67 -48.0 14.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.656 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.7 t -55.65 -34.35 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.77 -4.56 14.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' CG ' ' H ' ' A' ' 22' ' ' GLU . 41.6 tttt -93.16 -132.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.518 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.412 ' H ' ' CG ' ' A' ' 21' ' ' LYS . 96.0 mt-10 -80.38 158.39 26.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.64 -167.71 31.24 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.22 134.19 50.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.587 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' CD ' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -86.7 -24.85 25.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.96 -39.39 72.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -143.35 158.42 43.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.552 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' CG ' ' H ' ' A' ' 29' ' ' SER . 4.1 tp -93.55 -142.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.438 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.502 ' H ' ' CG ' ' A' ' 28' ' ' LEU . 74.2 p -154.07 174.17 15.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.565 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.25 -31.82 15.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.82 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 1.9 mptp? -57.72 -57.32 13.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.647 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -64.15 -32.95 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.742 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -54.47 -45.33 73.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.657 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.64 -25.29 68.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' O ' ' OG1' ' A' ' 39' ' ' THR . 77.7 tt0 -80.07 -50.16 10.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 pp -74.92 -24.12 58.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.981 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mt -51.76 -58.34 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.278 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.563 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.9 pt20 -69.43 -46.91 65.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.74 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 2.4 m -54.21 -46.21 72.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.776 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.97 -43.48 65.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 74.4 mt -86.2 -73.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.639 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.563 ' N ' ' O ' ' A' ' 38' ' ' GLN . 5.7 t 50.17 60.78 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.476 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.77 -51.78 0.03 OUTLIER Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -62.18 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.626 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.58 -21.48 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.632 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.27 -8.52 55.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.666 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.63 85.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.732 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -98.25 109.25 22.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.433 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -66.55 -49.23 67.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.625 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -95.04 -173.03 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.6 p -143.9 -35.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.606 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -60.32 -41.6 93.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.506 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.01 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.489 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.9 t -70.0 -30.68 45.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -74.67 -39.67 61.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.668 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' NZ ' ' CB ' ' A' ' 56' ' ' LYS . 9.4 mtpm? -58.52 -53.03 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.706 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.01 -39.8 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.7 mtt -72.33 -40.15 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -59.76 -34.35 72.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -45.53 -39.36 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.8 -47.61 85.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.479 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -65.85 -41.26 91.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.648 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -63.8 -34.03 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.6 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.65 88.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.41 51.68 0.92 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -87.68 -16.13 35.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.523 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 89.44 -152.04 22.34 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 67' ' ' GLY . 50.2 mt-10 57.09 117.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.757 0.313 . . . . 0.0 110.637 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.4 134.98 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.9 t0 -94.48 161.43 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.525 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 78.9 t80 -53.55 -43.05 68.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.671 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.99 -47.26 72.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.682 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.74 -22.61 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.25 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -71.12 -52.74 17.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.09 -27.36 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.625 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' B' ' 76' ' ' VAL . 53.8 t -67.06 -51.1 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.464 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.12 -42.92 95.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.654 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.43 ' O ' ' OG1' ' A' ' 82' ' ' THR . 71.7 t -59.61 -31.75 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.95 -19.48 30.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.93 -65.02 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.127 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.442 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -62.32 -20.02 63.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.736 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 89.0 m -68.87 -56.73 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.547 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.19 -27.64 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -13.01 21.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 86' ' ' ASN . 53.2 t -126.32 -33.19 2.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.666 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 85' ' ' CYS . 14.1 t-20 -36.91 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.555 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.2 m120 57.07 55.47 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.579 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -69.24 -72.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.543 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.63 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -83.97 153.39 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.13 -33.72 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.63 -33.98 73.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 41' ' ' LEU . 95.6 mt-10 -60.8 -50.31 73.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.673 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t -78.59 -20.87 49.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.631 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.75 -43.06 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.512 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 84.7 mmm -75.87 -33.76 60.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.449 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 95.3 mt-10 -63.72 -29.01 70.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.634 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.6 m -74.92 -30.17 61.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.9 -51.38 22.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.756 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -64.51 -27.34 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.685 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 77.9 m-20 -54.58 -37.77 65.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.537 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.5 t -85.29 -25.65 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.628 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.74 -59.43 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.498 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 5.2 p80 -64.49 -20.07 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.58 77.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -79.56 -47.96 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.683 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.0 t -55.81 -34.22 65.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.79 -4.59 14.73 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -93.17 -132.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -80.47 158.43 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.476 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.64 -167.73 31.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.25 134.2 50.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.602 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.467 ' H ' ' CD ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -86.77 -24.73 24.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.552 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.99 -39.43 72.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.528 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -143.37 158.36 43.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.603 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.477 ' CG ' ' H ' ' B' ' 29' ' ' SER . 4.1 tp -93.4 -142.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.576 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.477 ' H ' ' CG ' ' B' ' 28' ' ' LEU . 75.1 p -154.07 174.2 15.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.524 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.25 -31.91 15.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.767 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' B' ' 31' ' ' LYS . 1.9 mptp? -57.64 -57.35 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.672 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -64.27 -32.88 74.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.76 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -54.42 -45.36 72.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.614 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.56 -25.47 68.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.538 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -79.94 -50.11 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.006 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 pp -74.95 -24.14 58.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.958 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mt -51.83 -58.29 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.249 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' B' ' 42' ' ' SER . 10.0 pt20 -69.52 -46.83 65.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.742 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -54.16 -46.25 72.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.771 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -71.93 -43.56 65.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.407 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 74.6 mt -86.24 -73.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.599 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.556 ' N ' ' O ' ' B' ' 38' ' ' GLN . 5.7 t 50.22 60.84 3.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.47 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.82 -51.79 0.03 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -62.24 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.582 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.6 -21.47 66.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.643 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.29 -8.47 55.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.68 85.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.692 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -98.35 109.31 22.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -66.54 -49.31 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -95.02 -173.1 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.615 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 14.6 p -143.92 -35.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.58 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -60.22 -41.63 93.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.07 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.9 -30.64 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.584 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -74.72 -39.55 61.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.706 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.409 ' NZ ' ' CB ' ' B' ' 56' ' ' LYS . 9.4 mtpm? -58.66 -53.0 63.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.678 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.02 -39.86 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 51.5 mtt -72.29 -40.15 67.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.587 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -59.74 -34.23 72.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.602 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -45.65 -39.37 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.88 -47.46 86.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -66.0 -41.22 91.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -63.88 -33.94 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.6 88.29 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.714 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.5 51.77 0.91 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -87.75 -16.15 35.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.493 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 89.51 -152.01 22.29 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' B' ' 67' ' ' GLY . 50.2 mt-10 57.15 117.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.585 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.35 135.04 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.9 t0 -94.58 161.36 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.542 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 78.3 t80 -53.44 -43.13 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -66.87 -47.29 72.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.769 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.71 -22.56 63.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.97 0.414 . . . . 0.0 110.257 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -71.27 -52.67 17.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.0 m -59.02 -27.5 36.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.608 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 54.2 t -67.0 -51.04 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.17 -42.96 96.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.428 ' O ' ' OG1' ' B' ' 82' ' ' THR . 71.9 t -59.56 -31.92 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.662 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.51 30.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.04 -64.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.108 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -62.42 -20.09 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.711 0.291 . . . . 0.0 110.701 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 87.4 m -68.83 -56.67 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.61 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 91.7 t -58.17 -27.67 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.05 -13.09 22.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' B' ' 86' ' ' ASN . 53.3 t -126.27 -33.18 2.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.632 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' B' ' 85' ' ' CYS . 14.0 t-20 -36.88 -77.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.3 m120 57.08 55.45 6.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -69.21 -72.84 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.472 ' OG ' ' OE2' ' A' ' 5' ' ' GLU . 28.9 p -149.06 172.33 14.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.622 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.25 -26.52 66.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.682 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.8 tp -74.18 -33.89 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.603 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.568 ' OE1' ' N ' ' A' ' 5' ' ' GLU . 0.4 OUTLIER -62.68 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.757 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 t -81.31 -20.9 39.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.696 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.02 -43.79 66.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.53 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 79.0 mmm -73.46 -30.95 63.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.02 -30.51 71.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.1 m -78.4 -32.53 48.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.651 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.79 -53.12 44.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.711 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 tt -61.33 -24.53 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -58.02 -37.29 74.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.9 t -85.48 -27.95 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.765 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.59 -59.34 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.6 p80 -62.48 -22.79 66.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.728 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.439 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -63.91 -42.29 97.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.698 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -91.47 -24.82 19.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.69 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.1 p -61.0 -27.09 68.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.53 -161.31 27.26 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt 49.22 -111.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.757 0.313 . . . . 0.0 110.61 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -82.76 164.97 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.18 -148.74 19.31 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -85.86 -178.34 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.86 0.362 . . . . 0.0 110.632 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.36 -48.56 69.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.694 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -141.52 3.93 1.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.943 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -106.26 131.82 53.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.468 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 tp -95.4 145.52 25.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.498 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.4 ' HA ' ' H ' ' A' ' 68' ' ' GLU . 85.7 p -97.88 154.48 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HZ1' ' CG1' ' A' ' 69' ' ' VAL . 67.4 mttm -57.99 -27.38 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.65 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -58.12 -27.2 63.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.413 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -76.88 -44.42 32.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.729 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mt -48.1 -21.44 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.382 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -64.52 -62.16 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -79.22 -44.6 21.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.587 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tp -46.15 -57.3 4.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.508 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' LEU . 29.1 mt -43.95 -64.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.234 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.32 -52.23 62.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.849 0.357 . . . . 0.0 111.081 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.4 m -42.79 -46.4 5.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.247 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -91.15 -50.31 5.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.971 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 37' ' ' LEU . 56.6 mt -96.61 97.27 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.468 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 p -128.29 16.55 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.588 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.85 -36.34 1.71 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -66.78 -47.21 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.656 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD2' ' H ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -73.22 -13.88 61.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.39 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.67 -33.47 76.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.393 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' GLN . . . -103.09 -44.13 5.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.615 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' ALA . 2.7 pt20 32.49 79.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.973 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.403 ' N ' ' CD ' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -57.76 -40.54 79.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.652 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -103.68 -172.5 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.13 -47.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.69 -42.39 67.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.692 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -44.82 80.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.66 -27.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.663 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -76.72 -37.77 55.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.665 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -61.29 -50.06 74.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.38 -41.44 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.691 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.0 ttp -77.06 -32.56 56.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.615 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' ASP . 52.1 tttp -65.81 -51.18 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.477 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -45.85 -31.01 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.224 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.63 -34.99 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.45 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' LYS . 91.1 m-20 -66.69 -36.79 83.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.785 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.93 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.499 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 1.6 p30 -93.39 -73.82 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.614 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.499 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . 51.14 26.58 12.8 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.68 -75.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.731 0.3 . . . . 0.0 110.582 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 156.18 -178.1 32.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 67' ' ' GLY . 49.4 mt-10 54.62 113.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 110.81 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.41 ' CG1' ' HZ1' ' A' ' 30' ' ' LYS . 3.9 m -140.57 153.27 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.502 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -93.18 159.79 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.68 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -55.36 -36.05 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.654 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -62.04 -40.49 95.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.728 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -72.73 -31.27 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 0.0 110.454 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -63.57 -51.28 66.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.394 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 m -60.16 -31.31 47.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.55 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.415 ' CG2' ' CG2' ' B' ' 76' ' ' VAL . 46.8 t -63.88 -55.35 22.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.52 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.9 mt -57.46 -42.35 82.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.664 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.479 ' O ' ' OG1' ' A' ' 82' ' ' THR . 56.0 t -57.32 -33.36 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.54 -19.54 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -64.76 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.224 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -64.24 -19.91 65.69 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.86 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 90.4 m -66.37 -53.69 33.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.709 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.27 -24.97 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.549 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.88 -35.65 77.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.799 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.2 t -102.74 -20.99 14.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.668 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.547 ' C ' HD21 ' A' ' 86' ' ' ASN . 0.3 OUTLIER -47.28 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.654 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.4 m120 56.39 46.23 21.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -65.56 -77.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.665 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.698 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.476 ' OG ' ' OE2' ' B' ' 5' ' ' GLU . 29.3 p -148.97 172.44 14.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.633 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.4 -26.44 66.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 58.4 tp -74.21 -33.88 63.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.593 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.572 ' N ' ' OE1' ' B' ' 5' ' ' GLU . 0.4 OUTLIER -62.76 -43.18 99.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.728 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.3 t -81.44 -20.83 39.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.653 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.09 -43.78 67.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.492 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 79.0 mmm -73.52 -30.92 63.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.439 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.14 -30.43 71.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.531 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 76.4 m -78.49 -32.46 48.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -65.87 -53.16 43.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 tt -61.3 -24.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -58.11 -37.18 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.751 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.55 -27.93 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.752 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -65.6 -59.43 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.799 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.532 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 3.6 p80 -62.44 -22.75 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.77 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.435 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -64.04 -42.19 97.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -91.5 -24.86 19.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.653 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.2 p -60.94 -27.11 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.61 -161.29 27.42 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt 49.18 -111.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 0.0 110.519 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -82.74 164.92 20.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.21 -148.75 19.31 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -85.8 -178.41 6.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.35 . . . . 0.0 110.626 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.34 -48.55 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.668 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -141.57 3.92 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.909 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -106.28 131.7 53.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 110.523 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 tp -95.25 145.53 25.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.494 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 85.7 p -97.94 154.35 17.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.601 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -57.97 -27.33 63.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.681 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -58.02 -27.27 63.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.435 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -76.94 -44.45 31.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.65 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mt -48.04 -21.5 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.416 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -64.55 -62.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.609 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -79.18 -44.69 21.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tp -46.18 -57.24 4.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.49 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' B' ' 41' ' ' LEU . 29.1 mt -44.05 -64.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.156 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.39 -52.15 62.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.774 0.321 . . . . 0.0 111.075 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.5 m -42.87 -46.39 5.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.186 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -91.1 -50.38 5.88 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.961 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' B' ' 37' ' ' LEU . 56.6 mt -96.58 97.15 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.534 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.8 p -128.27 16.67 6.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.91 -36.27 1.71 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -66.73 -47.27 72.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.626 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.533 ' H ' ' CD2' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -73.23 -13.93 61.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.338 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.62 -33.45 75.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.415 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' B' ' 48' ' ' GLN . . . -103.09 -44.16 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' B' ' 47' ' ' ALA . 2.7 pt20 32.35 80.03 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.925 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.407 ' CD ' ' N ' ' B' ' 49' ' ' LYS . 0.7 OUTLIER -57.82 -40.52 80.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.639 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -103.73 -172.48 2.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.612 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.12 -47.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.81 -42.38 68.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.617 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.7 -44.86 80.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.68 -27.14 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -76.59 -37.88 55.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.721 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -61.34 -49.93 74.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.49 -41.35 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.664 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 63.9 ttp -77.04 -32.63 57.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.663 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' B' ' 62' ' ' ASP . 52.2 tttp -65.75 -51.16 61.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.585 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -45.88 -30.92 1.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.272 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.72 -35.02 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.393 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' B' ' 59' ' ' LYS . 91.3 m-20 -66.57 -36.87 83.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.752 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.85 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.686 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.511 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 1.6 p30 -93.41 -73.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.511 ' H ' ' CG ' ' B' ' 64' ' ' ASN . . . 51.21 26.59 13.41 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -66.62 -75.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 156.3 -178.15 32.94 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' B' ' 67' ' ' GLY . 49.4 mt-10 54.67 113.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.742 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.58 153.18 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -93.14 159.83 15.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.729 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -55.35 -36.2 66.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.582 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -61.94 -40.53 95.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.702 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -72.75 -31.31 64.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.418 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.54 -51.38 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.1 m -60.05 -31.26 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.619 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.415 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 47.0 t -63.93 -55.29 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.53 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.51 -42.36 82.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.567 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.486 ' O ' ' OG1' ' B' ' 82' ' ' THR . 55.7 t -57.34 -33.46 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.742 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.38 -19.56 31.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.96 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.24 -64.65 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.211 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.428 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -64.25 -20.0 65.76 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.879 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 90.1 m -66.3 -53.8 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.673 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.22 -25.0 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.563 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.81 -35.69 77.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.768 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -102.66 -20.91 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.753 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.55 ' C ' HD21 ' B' ' 86' ' ' ASN . 0.3 OUTLIER -47.43 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.612 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 34.5 m120 56.43 46.18 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.523 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -65.57 -77.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.648 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -142.37 159.61 41.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.331 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.93 -32.09 71.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tt -78.48 -42.95 28.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.402 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.84 -42.98 94.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.728 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -77.23 -20.77 54.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.611 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.27 -47.9 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.441 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.8 mmm -70.23 -32.03 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 69.3 mm-40 -65.34 -19.54 66.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -79.89 -45.73 18.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.9 -43.43 83.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.511 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -61.52 -42.21 93.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.26 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.1 m120 -54.77 -43.48 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.3 t -76.25 -33.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -54.96 -53.77 51.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.738 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.523 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.4 p80 -71.44 -23.45 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.68 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.488 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -58.93 -38.82 79.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -88.87 -47.32 8.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.7 m -60.82 -39.75 90.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.592 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.78 -32.88 80.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -52.06 149.43 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.521 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -41.45 117.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.478 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.14 -119.53 1.04 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 90.8 m-20 -60.14 158.56 11.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.583 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -84.6 -62.08 1.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.674 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -136.77 24.13 3.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.675 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 46.8 mmtt -130.2 137.38 50.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.717 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 tp -98.26 135.03 40.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -77.51 168.72 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.611 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -86.5 -40.6 15.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.769 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -53.43 -44.44 68.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.608 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.62 -30.04 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 tp -52.81 -50.01 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.626 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.26 -25.5 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.804 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.0 mt-10 -79.17 -41.03 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.54 -26.48 30.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.989 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.23 -57.38 12.04 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -68.69 -45.88 70.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 11.0 m -55.86 -46.27 78.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.78 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -73.83 -36.53 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.645 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 42' ' ' SER . 79.6 mt -93.15 -103.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 1.4 p 81.68 33.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.626 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.64 -55.39 0.04 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 62.2 m-85 -57.47 -35.83 70.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.568 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.5 ' CD2' ' H ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -80.21 -28.15 38.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -73.4 0.41 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.601 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.54 42.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -70.02 125.79 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.617 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -96.09 -48.64 5.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.542 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -79.25 161.95 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.715 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.4 -35.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.354 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -69.0 -58.12 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.496 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.86 -31.18 66.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.491 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.8 t -71.16 -22.08 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.649 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -80.36 -37.0 33.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -48.18 -51.45 25.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.709 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 p -53.4 -34.68 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.902 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.7 mtt -73.91 -35.02 64.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.805 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -52.76 -58.79 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.522 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -49.91 -32.7 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.387 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.48 -45.32 65.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.439 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 59.3 t0 -71.43 -38.08 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.605 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -58.16 -32.4 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.41 -103.74 0.41 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.515 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.63 3.46 68.78 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -150.07 71.5 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -173.99 176.87 46.43 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -106.32 175.85 5.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.8 146.7 30.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.24 168.56 11.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -58.97 -38.48 79.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.761 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -70.67 -47.5 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.795 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 1.5 mp0 -70.65 -20.4 62.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 0.0 110.261 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -73.33 -52.96 12.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 m -58.15 -29.76 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.613 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.27 -51.72 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.613 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 98.6 mt -57.73 -42.37 83.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.556 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.484 ' O ' ' OG1' ' A' ' 82' ' ' THR . 65.7 t -62.23 -31.17 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.629 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.72 -19.3 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.59 -64.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.75 -19.84 65.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.967 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 57.4 m -71.12 -52.01 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.708 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.77 -36.82 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.665 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.49 95.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 83.8 m -92.24 -6.18 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 82' ' ' THR . 41.8 t30 -64.26 137.97 58.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.639 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -133.45 36.55 3.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -55.59 -41.76 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.5 t80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -142.33 159.66 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.609 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.93 -32.18 71.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tt -78.5 -42.91 28.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -59.83 -42.94 94.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.719 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.1 t -77.23 -20.87 54.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.26 -47.86 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.412 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.9 mmm -70.32 -31.97 69.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 69.3 mm-40 -65.27 -19.66 66.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.533 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -79.95 -45.65 18.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.496 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.6 mt -66.97 -43.35 83.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' B' ' 13' ' ' ASN . 0.2 OUTLIER -61.62 -42.21 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.148 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.457 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 3.1 m120 -54.74 -43.46 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.527 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 74.8 t -76.31 -33.43 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.87 -53.83 50.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.752 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.53 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 3.4 p80 -71.35 -23.44 61.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.711 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.484 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.02 -38.8 80.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.467 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -88.78 -47.4 8.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.8 m -60.8 -39.81 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.8 -32.78 80.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -51.89 149.36 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 110.574 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -41.54 117.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.499 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.13 -119.45 1.03 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' B' ' 27' ' ' LYS . 90.8 m-20 -60.12 158.49 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.628 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -84.55 -62.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.709 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -136.79 24.2 3.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.607 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' B' ' 24' ' ' ASP . 46.8 mmtt -130.33 137.34 49.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.639 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.3 tp -98.23 135.09 40.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.469 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -77.65 168.78 19.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.653 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -86.45 -40.74 15.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -53.44 -44.43 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.53 -30.08 70.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.584 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 tp -52.85 -50.07 64.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.15 -25.63 66.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.765 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' B' ' 39' ' ' THR . 95.9 mt-10 -79.2 -40.99 29.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.014 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.54 -26.47 30.1 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.005 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.22 -57.42 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.365 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -68.65 -45.93 70.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 11.2 m -55.87 -46.16 78.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.773 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -73.97 -36.47 64.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.587 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' B' ' 42' ' ' SER . 79.5 mt -93.07 -103.84 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 1.4 p 81.64 33.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.62 -55.55 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.443 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 62.1 m-85 -57.35 -35.86 70.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.585 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.511 ' H ' ' CD2' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -80.24 -28.05 38.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.492 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -73.39 0.31 12.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.5 42.1 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.53 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -69.98 125.81 27.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.556 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -96.09 -48.6 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -79.31 161.88 25.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.63 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.32 -35.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.358 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 0.9 OUTLIER -68.96 -58.16 4.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.436 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.97 -31.07 66.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 76.5 t -71.02 -22.34 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.688 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -80.23 -36.95 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.997 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -48.14 -51.42 24.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 p -53.4 -34.76 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.89 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 58.7 mtt -73.82 -35.08 64.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -52.71 -58.86 5.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -49.82 -32.7 14.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.411 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.56 -45.16 65.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.434 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 59.4 t0 -71.65 -38.02 70.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -58.09 -32.42 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.6 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.43 -103.75 0.41 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.64 3.41 68.81 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -150.01 71.49 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.766 0.317 . . . . 0.0 110.485 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -173.99 176.85 46.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -106.33 175.82 5.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.768 0.318 . . . . 0.0 110.624 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.76 146.71 30.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -91.22 168.57 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.531 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.92 -38.44 78.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -70.82 -47.35 59.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.769 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.419 ' CD ' ' N ' ' B' ' 73' ' ' GLU . 1.5 mp0 -70.81 -20.41 62.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.98 0.419 . . . . 0.0 110.185 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -73.3 -52.92 12.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.363 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 19.8 m -58.19 -29.74 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.644 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.15 -51.78 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 98.3 mt -57.71 -42.4 83.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.523 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.479 ' O ' ' OG1' ' B' ' 82' ' ' THR . 65.7 t -62.21 -31.23 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.666 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.6 -19.38 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.52 -64.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.275 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.421 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.8 -19.97 65.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.908 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 58.2 m -71.12 -51.97 21.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.669 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -58.79 -36.81 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.652 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.36 -40.53 96.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.729 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.443 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 83.9 m -92.29 -6.08 51.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.701 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' B' ' 82' ' ' THR . 41.8 t30 -64.27 138.01 58.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.69 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -133.5 36.51 3.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -55.52 -41.81 73.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.622 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -69.48 162.12 28.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.332 . . . . 0.0 110.641 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.72 -28.34 69.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -72.61 -30.28 64.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.651 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -67.16 -52.84 36.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.675 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.43 -21.39 63.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.87 76.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.3 mmm -73.98 -31.65 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.542 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.23 -27.25 68.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.642 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.9 m -78.5 -41.1 33.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.729 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.33 -54.44 45.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.8 tt -59.18 -39.25 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.67 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -49.21 -37.6 23.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -80.71 -37.09 16.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.562 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -65.4 -60.53 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.529 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.07 -30.89 62.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.439 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.38 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -80.07 -37.24 34.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -66.58 -25.16 66.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.02 93.12 1.59 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -147.66 -96.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -157.96 35.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.53 -139.75 3.51 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.37 86.53 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.738 0.304 . . . . 0.0 110.603 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -69.97 -17.32 63.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.619 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -69.73 -26.45 64.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -142.07 -167.42 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 tp -140.39 149.99 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.624 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.4 p -74.84 170.28 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.619 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.601 ' HZ3' ' CG1' ' A' ' 69' ' ' VAL . 60.6 mttm -88.82 -33.79 17.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -60.44 -51.58 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.786 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -64.69 -26.66 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.746 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.02 -38.31 67.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.566 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -77.3 -25.55 51.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.7 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' OG1' ' A' ' 39' ' ' THR . 40.1 tp10 -70.73 -43.47 68.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.076 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 pp -77.88 -33.3 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.027 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.72 -58.86 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.485 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.53 -49.35 66.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 27.7 m -55.45 -45.9 76.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.48 -43.78 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' O ' ' OG ' ' A' ' 42' ' ' SER . 89.9 mt -81.19 -90.18 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.727 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 41' ' ' LEU . 7.8 p 65.49 36.75 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.535 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.1 -62.03 0.02 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -49.22 -47.95 45.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.769 0.319 . . . . 0.0 110.619 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.51 -28.33 69.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 8.3 t0 -72.03 -2.11 17.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.65 55.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.617 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -79.5 138.45 37.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -88.01 -74.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -72.87 144.94 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.557 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -107.59 -38.72 4.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.45 -43.72 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.48 92.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.2 t -66.48 -35.13 74.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.587 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -70.81 -36.15 72.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.654 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.39 -57.46 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.56 -37.14 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.8 mtt -76.1 -36.03 59.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.736 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -60.42 -41.09 93.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.63 -41.09 63.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.59 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.0 mt -76.7 -37.54 55.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -67.18 -38.21 85.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.666 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -55.01 -31.22 60.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.495 ' N ' ' ND2' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.66 71.78 0.44 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.53 -34.22 88.83 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.489 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 51.2 p-10 -75.79 77.55 2.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.781 0.324 . . . . 0.0 110.639 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.5 -166.89 23.1 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -140.76 159.73 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.601 ' CG1' ' HZ3' ' A' ' 30' ' ' LYS . 29.7 m -137.8 154.38 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.59 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -95.89 177.44 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -54.36 -53.72 50.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -57.72 -40.54 79.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.565 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.51 -18.45 61.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.258 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -86.98 -58.93 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.464 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.0 m -49.13 -44.91 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.15 -37.04 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.795 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.3 mt -70.33 -39.91 74.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.0 t -61.86 -30.47 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.596 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.4 30.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.66 -64.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.137 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -62.78 -19.62 64.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.811 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 79.6 m -66.65 -50.59 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.643 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.56 -37.84 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.628 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.55 -35.24 75.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.4 m -93.44 -26.21 17.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 38.4 t-20 -55.5 141.79 35.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 47.2 p-10 -142.97 43.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.565 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -62.6 -69.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.607 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 t80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 72.8 m -69.55 162.1 28.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.345 . . . . 0.0 110.638 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.79 -28.19 69.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -72.61 -30.44 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.567 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -67.08 -52.78 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.48 -21.37 63.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.698 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.31 -45.83 76.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.611 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 31.3 mmm -73.9 -31.74 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.24 -27.14 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.677 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.8 m -78.57 -41.07 32.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.37 -54.41 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.709 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' B' ' 13' ' ' ASN . 17.8 tt -59.22 -39.28 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.685 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.4 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 47.6 t30 -49.12 -37.66 22.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 79.3 t -80.68 -37.09 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -65.37 -60.51 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.01 -31.03 62.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.316 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.25 95.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.605 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -80.1 -37.22 34.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.612 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -66.66 -25.15 66.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.46 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.06 93.11 1.59 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -147.63 -96.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.559 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -157.97 35.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.46 -139.67 3.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.34 86.54 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -70.12 -17.23 63.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -69.79 -26.39 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -142.12 -167.46 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.532 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 tp -140.34 149.99 43.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 82.6 p -74.91 170.24 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.598 ' HZ3' ' CG1' ' B' ' 69' ' ' VAL . 60.7 mttm -88.83 -33.71 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.639 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -60.42 -51.61 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -64.64 -26.71 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.716 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.97 -38.28 67.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.602 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -77.38 -25.56 51.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.735 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -70.66 -43.51 69.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 pp -77.87 -33.21 52.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.027 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.73 -58.79 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.604 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.52 -49.3 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.895 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 28.1 m -55.61 -45.93 77.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.48 -43.65 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.871 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.454 ' O ' ' OG ' ' B' ' 42' ' ' SER . 90.2 mt -81.33 -90.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.656 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' B' ' 41' ' ' LEU . 7.6 p 65.38 36.87 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.25 -61.99 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -49.16 -47.96 45.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.724 0.297 . . . . 0.0 110.601 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.57 -28.28 69.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 8.4 t0 -72.09 -2.06 17.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.7 55.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.641 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -79.45 138.47 37.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.647 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -88.06 -74.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -72.98 144.92 47.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.477 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -107.57 -38.65 4.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.658 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.53 -43.63 98.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.697 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.4 92.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.56 -35.08 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.581 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -70.76 -36.22 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.691 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.28 -57.58 12.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.43 -37.21 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.664 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 46.9 mtt -76.13 -35.95 59.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.698 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -60.58 -41.0 93.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.63 -41.07 63.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 59.3 mt -76.73 -37.63 55.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.5 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -67.09 -38.21 85.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -55.03 -31.25 60.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.633 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.478 ' N ' ' ND2' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -160.6 71.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.41 -34.37 89.15 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 51.1 p-10 -75.74 77.62 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.643 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.52 -166.94 23.2 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -140.78 159.67 41.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.598 ' CG1' ' HZ3' ' B' ' 30' ' ' LYS . 29.9 m -137.79 154.41 29.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -95.89 177.4 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -54.23 -53.86 47.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -57.57 -40.63 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -72.45 -18.51 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.309 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -87.11 -58.81 2.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.396 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 35.0 m -49.2 -44.88 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.821 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' B' ' 77' ' ' LEU . 7.3 p -57.14 -37.12 54.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.754 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.4 ' N ' ' CG1' ' B' ' 76' ' ' VAL . 85.5 mt -70.33 -39.87 74.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.66 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 83.9 t -61.8 -30.58 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.625 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.77 -19.44 30.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.62 -64.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.438 ' N ' ' CD2' ' B' ' 81' ' ' LEU . 1.6 pt? -62.83 -19.75 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.812 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.7 m -66.48 -50.63 62.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 110.662 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 98.4 t -63.61 -37.68 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.17 75.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.45 -26.23 17.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 38.5 t-20 -55.46 141.8 35.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.465 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 47.1 p-10 -143.0 43.91 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -62.56 -70.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.564 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.569 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.581 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 p -73.58 158.31 35.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.757 0.313 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -56.72 -26.7 57.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.574 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -76.04 -34.45 59.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.519 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.581 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 48.0 mt-10 -63.0 -45.52 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.711 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 t -77.92 -20.81 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.63 -36.13 64.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.4 mmm -82.61 -32.62 28.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.588 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -61.98 -22.05 65.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.513 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.0 m -76.24 -39.16 55.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.499 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.38 -46.73 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.678 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -58.94 -39.05 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.213 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.405 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 73.3 m-20 -66.2 -44.34 84.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.14 -41.46 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.27 -44.8 65.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.35 -33.35 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.19 76.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.681 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -89.33 -41.75 11.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.673 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 p -64.2 -28.52 69.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.613 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.54 -27.91 59.05 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.75 -175.99 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 110.65 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.76 132.33 51.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.596 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.47 -163.34 25.77 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' A' ' 27' ' ' LYS . 10.6 t70 -70.94 135.59 48.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -82.19 -48.05 11.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.717 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -77.34 -10.97 59.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.584 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 92.2 mttt -143.9 -173.54 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.726 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -134.15 140.04 46.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.399 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.3 p -66.34 173.33 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.499 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -90.42 -26.97 19.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.07 -28.81 66.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.671 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.54 -33.65 75.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.712 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 33' ' ' LEU . 4.3 mm? -53.28 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -53.96 -25.48 20.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -81.4 -56.56 3.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.171 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.33 -37.13 77.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.972 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.4 mt -47.93 -64.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 110.587 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.28 -53.58 53.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -50.21 -38.43 40.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -82.19 -48.66 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.567 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 5.9 mp -85.9 -81.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.827 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.498 ' O ' ' OG ' ' A' ' 42' ' ' SER . 4.8 t 56.89 27.0 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.115 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.02 -46.46 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -63.49 -51.1 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.49 -24.28 67.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.894 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' A' ' 42' ' ' SER . 84.0 m-20 -68.3 -5.93 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.415 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.39 71.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -84.01 105.53 14.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.58 -42.97 99.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -105.61 133.25 50.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.3 p -91.24 -30.01 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' A' ' 53' ' ' ALA . 22.4 p-10 -73.23 -54.05 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.719 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -44.55 -49.98 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.646 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.08 -29.16 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -64.02 -36.87 85.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.17 -62.41 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.552 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.42 -38.85 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.54 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.1 ttp -67.3 -37.33 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.632 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.68 -41.31 99.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -52.1 -38.04 56.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.492 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 65' ' ' GLY . 51.9 mt -69.7 -36.64 76.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.68 -40.3 91.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.42 -35.47 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.447 ' N ' ' ND2' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -164.59 73.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.496 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -54.38 -34.74 54.77 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -88.99 133.53 34.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.575 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.21 -165.53 33.83 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -133.67 156.94 46.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.465 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 m -137.82 151.51 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -93.85 -172.15 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -63.3 -54.84 30.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.654 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -56.12 -49.55 73.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.542 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -65.12 -18.35 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.391 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -87.8 -63.48 1.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.637 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.6 m -48.34 -48.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.896 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.04 -29.21 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.479 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.2 -41.0 64.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.452 ' O ' ' OG1' ' A' ' 82' ' ' THR . 57.2 t -63.08 -27.5 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.72 -19.47 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.75 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.34 -64.68 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.411 HD23 ' H ' ' A' ' 82' ' ' THR . 1.6 pt? -62.27 -19.39 63.18 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.817 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 51.1 m -73.08 -45.43 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.745 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.9 -30.99 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.88 -31.68 63.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 t -96.5 -25.12 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.468 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 30.0 t30 -68.13 131.76 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.468 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 94.3 m-20 -149.96 44.33 0.9 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -57.8 -35.22 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.55 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.4 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.622 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . 0.583 ' N ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.5 p -73.64 158.34 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.533 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -56.74 -26.71 57.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.5 tp -75.99 -34.45 59.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' B' ' 1' ' ' GLY . 47.9 mt-10 -63.02 -45.53 91.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.4 t -77.83 -20.94 52.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.52 -36.18 63.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.6 mmm -82.59 -32.7 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.502 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -62.02 -21.93 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.514 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.8 m -76.27 -39.14 55.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.457 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.5 -46.76 53.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.53 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.456 HG21 HD11 ' B' ' 12' ' ' ILE . 0.2 OUTLIER -58.94 -39.05 76.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.216 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.41 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 73.3 m-20 -66.19 -44.37 84.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.76 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.09 -41.54 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.68 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -52.26 -44.78 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.34 -33.39 75.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.627 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.25 76.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -89.34 -41.64 12.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.719 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.6 p -64.25 -28.46 69.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.66 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.61 -27.82 59.13 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.77 -176.01 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.592 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.78 132.34 51.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.49 -163.27 25.78 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' B' ' 27' ' ' LYS . 10.6 t70 -71.03 135.63 47.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.506 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -82.2 -47.94 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.787 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -77.53 -10.87 59.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.681 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.58 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 92.2 mttt -143.96 -173.57 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.679 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -134.07 140.01 46.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.345 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 55.5 p -66.2 173.38 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.53 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -90.53 -26.82 19.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.656 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.22 -28.73 66.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.618 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.65 -33.57 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.737 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' B' ' 33' ' ' LEU . 4.3 mm? -53.28 -61.56 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -54.07 -25.44 21.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -81.41 -56.51 4.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.143 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.24 -37.19 77.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.991 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 27.5 mt -47.93 -64.8 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.585 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -62.43 -53.51 53.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 22.2 m -50.14 -38.43 39.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -82.13 -48.76 10.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.985 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.581 ' N ' ' CD1' ' B' ' 41' ' ' LEU . 6.0 mp -85.88 -81.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.947 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' B' ' 42' ' ' SER . 4.8 t 56.84 27.08 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.104 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.04 -46.37 0.08 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -63.65 -51.07 66.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.42 -24.27 67.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 42' ' ' SER . 83.9 m-20 -68.35 -5.88 21.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.496 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.41 71.48 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.469 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -83.99 105.51 14.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -61.5 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.421 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -105.64 133.29 50.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 14.4 p -91.24 -30.0 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.601 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.411 ' CG ' ' N ' ' B' ' 53' ' ' ALA . 22.4 p-10 -73.21 -54.01 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.726 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' B' ' 52' ' ' ASP . . . -44.64 -50.07 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.54 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.12 -29.09 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.47 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.97 -36.97 85.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.19 -62.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.39 -38.87 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.1 ttp -67.27 -37.32 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.657 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.7 -41.35 99.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -52.11 -37.98 55.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.537 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 65' ' ' GLY . 51.8 mt -69.82 -36.58 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.519 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.66 -40.29 91.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.46 -35.35 73.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.469 ' ND2' ' N ' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -164.72 73.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.512 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -54.43 -34.81 55.14 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -89.0 133.54 34.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.26 -165.5 33.84 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -133.67 156.95 46.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.313 . . . . 0.0 110.49 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.81 151.44 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -93.81 -172.08 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -63.41 -54.8 31.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.622 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.03 -49.65 73.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -64.96 -18.58 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.389 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -87.63 -63.47 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.635 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.8 m -48.53 -48.6 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.943 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.01 -29.2 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.633 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.2 -41.04 64.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.581 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.45 ' O ' ' OG1' ' B' ' 82' ' ' THR . 57.2 t -62.98 -27.63 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.59 -19.52 30.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.35 -64.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.282 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.416 HD23 ' H ' ' B' ' 82' ' ' THR . 1.6 pt? -62.25 -19.57 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 0.0 110.817 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 52.2 m -72.97 -45.41 58.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.6 t -62.94 -30.94 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.627 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.99 -31.64 63.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 37.5 t -96.53 -25.02 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.484 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 29.9 t30 -68.12 131.7 45.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' B' ' 86' ' ' ASN . 94.1 m-20 -150.01 44.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -57.8 -35.1 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.637 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 26.1 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -65.77 150.5 48.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.381 . . . . 0.0 110.54 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 7.3 mp0 -67.12 -30.07 69.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 tp -60.36 -29.19 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.624 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.89 -49.01 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 t -80.46 -21.0 42.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.753 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.46 -35.7 30.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -83.63 -27.97 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.529 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 99.3 mt-10 -64.82 -27.38 68.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.728 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 m -79.42 -27.26 41.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.723 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.45 -46.51 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.652 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.2 tt -68.94 -32.0 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.809 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.9 m120 -54.81 -37.28 65.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.706 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -86.21 -23.97 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.811 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -70.15 -63.26 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.734 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.593 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 3.4 p80 -57.2 -29.48 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.593 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -59.05 -43.43 91.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -81.48 -31.7 32.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.706 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p -67.43 -21.53 65.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.699 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.29 19.13 55.09 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' A' ' 22' ' ' GLU . 83.7 tttt -149.11 125.16 10.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.66 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.481 ' O ' ' O ' ' A' ' 21' ' ' LYS . 96.8 mt-10 35.88 96.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.87 -175.05 27.39 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -67.39 -135.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 110.492 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -158.58 -47.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -72.17 -24.98 61.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.454 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -144.08 -176.91 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.51 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -128.98 142.98 50.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.7 p -68.55 166.91 16.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.66 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.494 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 49.9 mttm -89.84 -35.07 15.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.669 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -56.15 -54.43 45.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -61.6 -32.64 72.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -36.84 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.398 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -73.65 -25.32 60.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.51 -42.29 43.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.383 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.77 -24.08 41.75 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.245 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -54.04 -52.55 60.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -69.98 -45.62 66.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -59.99 -41.17 91.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -83.48 -50.27 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.701 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.08 96.8 7.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.5 t -123.93 -6.68 7.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.473 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.32 -15.21 59.1 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -88.55 -25.62 22.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.008 0.432 . . . . 0.0 110.131 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.35 -28.24 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.908 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.43 -28.39 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.555 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.39 41.13 3.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.558 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -59.87 132.64 54.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.51 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -90.95 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.51 145.02 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 52' ' ' ASP . 14.9 p -99.69 -45.32 11.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.677 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.432 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 76.9 m-20 -67.46 -41.42 84.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.597 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.36 96.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.604 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.04 -28.84 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.529 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -82.16 -20.1 38.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.419 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -55.59 -55.03 36.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 p -55.6 -35.35 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 47.9 mmm -62.16 -32.75 73.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.375 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -60.29 -39.21 86.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.494 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -56.95 -45.94 82.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -62.93 -38.24 90.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.631 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -58.34 -43.52 88.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.46 -37.64 85.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -94.26 -119.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.89 20.5 50.03 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.488 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 55.2 p30 -166.46 72.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.643 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.34 -168.55 37.27 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.6 mp0 -133.06 160.75 36.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.894 0.378 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.494 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 29.9 m -134.31 154.39 37.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -93.0 172.48 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -54.49 -39.53 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -65.47 -44.97 85.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.14 -25.36 62.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.378 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -69.27 -53.41 19.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.382 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.7 m -56.9 -29.81 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.649 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.47 -47.8 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.682 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.67 -31.59 71.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.704 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.483 ' O ' ' OG1' ' A' ' 82' ' ' THR . 54.2 t -66.67 -30.94 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.701 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.85 -19.37 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.85 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.099 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.53 -20.02 65.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.864 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 39.8 m -68.82 -46.89 67.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.7 t -68.83 -31.32 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.637 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.07 -34.14 59.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.7 t -95.28 -38.03 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.657 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.56 143.8 39.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.676 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -143.9 64.62 1.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.434 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -90.38 -65.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.748 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 p90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.748 -179.758 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -65.71 150.43 48.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.331 . . . . 0.0 110.585 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.457 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 7.3 mp0 -67.1 -30.07 69.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 tp -60.29 -29.21 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.674 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.83 -48.99 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.1 t -80.52 -21.04 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.716 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.34 -35.79 29.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 80.7 mmm -83.6 -28.01 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.582 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.522 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 99.3 mt-10 -64.76 -27.34 68.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.749 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.4 m -79.4 -27.24 41.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.46 -46.63 59.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.3 tt -68.86 -32.02 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.752 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.9 m120 -54.8 -37.23 65.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.75 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.9 t -86.24 -23.96 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.783 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -70.12 -63.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.755 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.602 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 3.3 p80 -57.28 -29.32 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.769 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.602 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.16 -43.51 92.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.755 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -81.45 -31.64 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.673 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.3 p -67.46 -21.58 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.629 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.23 19.1 55.2 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 22' ' ' GLU . 83.7 tttt -149.09 125.16 10.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.658 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' B' ' 21' ' ' LYS . 96.8 mt-10 35.81 96.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.788 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.83 -175.06 27.34 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -67.39 -135.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.512 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -158.62 -47.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.626 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -72.22 -24.94 61.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -144.08 -176.87 5.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.556 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tp -128.99 143.01 50.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.503 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 75.2 p -68.6 166.91 16.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.653 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.493 ' NZ ' ' CG1' ' B' ' 69' ' ' VAL . 49.9 mttm -89.83 -34.99 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -56.28 -54.33 46.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -61.59 -32.67 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.56 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.63 -36.85 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.487 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.401 ' HZ3' ' HE2' ' B' ' 58' ' ' MET . 41.8 tttp -73.52 -25.44 60.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.917 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.52 -42.18 44.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.416 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.86 -24.13 41.46 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.23 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -53.95 -52.56 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -70.05 -45.53 66.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.2 m -59.91 -41.37 91.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -83.37 -50.3 8.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.74 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.12 96.85 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.442 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.4 t -124.0 -6.65 7.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.34 -15.27 58.98 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -88.43 -25.7 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.966 0.412 . . . . 0.0 110.107 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.38 -28.22 22.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.904 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -63.42 -28.39 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.563 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.38 41.07 3.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.615 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -59.77 132.49 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.526 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -90.88 -62.08 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -88.64 145.07 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' B' ' 52' ' ' ASP . 14.9 p -99.67 -45.41 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.434 ' N ' ' CG1' ' B' ' 51' ' ' VAL . 77.0 m-20 -67.42 -41.47 84.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.591 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.34 97.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.616 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.1 -28.76 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.544 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -82.22 -20.12 38.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -55.49 -55.06 36.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.498 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.65 -35.32 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.401 ' HE2' ' HZ3' ' B' ' 34' ' ' LYS . 47.6 mmm -62.2 -32.79 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.355 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -60.26 -39.18 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.559 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -57.02 -45.8 82.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -62.97 -38.31 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -58.3 -43.57 88.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.73 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.36 -37.65 85.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -94.37 -119.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.556 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.89 20.53 49.98 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.488 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 55.1 p30 -166.47 72.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.825 0.345 . . . . 0.0 110.607 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.3 -168.53 37.22 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -133.02 160.75 36.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.481 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.493 ' CG1' ' NZ ' ' B' ' 30' ' ' LYS . 30.0 m -134.38 154.4 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.498 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -93.04 172.54 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -54.5 -39.53 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -65.48 -44.96 85.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.07 -25.41 62.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -69.27 -53.45 19.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.364 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 19.7 m -56.82 -29.87 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.644 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.51 -47.76 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.654 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.71 -31.52 71.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.469 ' O ' ' OG1' ' B' ' 82' ' ' THR . 54.2 t -66.67 -31.06 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.658 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.61 -19.57 30.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.84 -64.75 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.217 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.63 -20.03 65.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.781 0.324 . . . . 0.0 110.855 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 39.5 m -68.84 -46.86 67.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.2 t -68.89 -31.32 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.573 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.16 -34.05 59.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.637 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 51.5 t -95.35 -37.89 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.637 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.58 143.9 39.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -143.93 64.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.441 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -90.32 -65.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.741 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 p90 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 -179.781 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.616 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 87.9 p -149.9 167.54 26.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.785 0.326 . . . . 0.0 110.579 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -59.21 -34.79 72.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 2.9 tm? -74.49 -48.92 24.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.269 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.616 ' H ' ' HG ' ' A' ' 2' ' ' SER . 97.1 mt-10 -55.96 -53.03 61.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.678 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -65.02 -23.14 67.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.74 -52.44 40.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.637 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -68.39 -30.9 69.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.79 -29.4 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 m -76.87 -32.61 57.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.82 -53.67 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.704 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -58.79 -25.37 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.572 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.87 -37.3 84.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.701 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -85.46 -28.52 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.22 -63.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.539 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.3 p80 -61.39 -21.04 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.655 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.14 90.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.733 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -90.39 -21.24 22.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.666 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -62.97 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.688 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.29 59.53 0.36 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -158.56 -81.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.766 0.317 . . . . 0.0 110.707 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.54 -43.55 8.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.593 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . -69.44 -168.75 6.23 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 25' ' ' LYS . 21.8 t70 -56.35 -120.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.527 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' N ' ' OD2' ' A' ' 24' ' ' ASP . 51.2 tttm -145.48 -36.1 0.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -109.14 -13.71 14.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -144.06 155.35 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -106.07 150.3 25.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.616 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -87.78 149.81 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' A' ' 68' ' ' GLU . 23.2 mtmm -68.84 -27.25 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -52.29 -38.72 59.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.27 -29.61 26.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.2 tp -51.83 -36.45 48.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -78.69 -25.45 44.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.32 -46.6 15.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.072 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 pp -74.96 -25.97 59.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.975 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mt -54.32 -53.56 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.485 ' O ' ' OG ' ' A' ' 42' ' ' SER . 42.8 mt-30 -69.42 -47.35 64.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.5 m -57.98 -45.48 86.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -70.41 -43.01 70.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.742 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 67.4 mt -86.37 -76.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 3.9 m 54.09 54.21 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.54 -49.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.478 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 46.2 m-85 -60.72 -25.28 66.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.465 ' CD2' ' H ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -83.06 -19.54 36.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.424 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.83 9.47 6.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.611 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.524 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -166.34 74.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.582 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -96.02 130.33 43.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.542 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.55 -77.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.611 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -74.24 134.35 42.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.634 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.1 p -88.83 -37.2 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.673 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.507 ' CG ' ' N ' ' A' ' 53' ' ' ALA . 16.7 p-10 -64.02 -56.15 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.657 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.507 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -53.65 -40.77 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.612 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.5 t -69.24 -23.59 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 59' ' ' LYS . 43.9 t0 -78.55 -33.69 47.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.722 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -54.27 -64.03 0.96 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.57 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 58' ' ' MET . 5.9 p -49.04 -37.72 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.714 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.408 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 63.7 mtt -75.07 -34.13 61.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ASP . 8.5 ttmm -57.17 -39.24 74.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -55.65 -40.94 72.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.37 -40.29 95.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.502 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.33 -41.63 80.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.604 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -67.42 -50.1 60.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.676 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -103.25 -110.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.604 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.75 18.69 56.02 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -56.72 -34.72 67.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.6 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.56 60.15 1.0 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.522 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 80.8 tt0 -168.38 113.38 0.63 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.748 0.309 . . . . 0.0 110.565 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.54 147.57 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.435 ' OD1' ' CD ' ' A' ' 73' ' ' GLU . 4.8 p-10 -92.11 -170.19 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.636 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -73.71 -46.06 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -62.95 -45.14 93.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.765 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' CD ' ' OD1' ' A' ' 70' ' ' ASP . 99.4 mt-10 -71.24 -18.37 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.453 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -82.02 -53.63 5.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.583 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.3 m -59.09 -45.1 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.998 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.28 -37.43 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.741 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.1 mt -69.52 -38.85 77.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.757 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.478 ' O ' ' OG1' ' A' ' 82' ' ' THR . 76.2 t -63.01 -26.66 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.48 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.87 -65.02 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.23 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.01 -19.55 64.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.812 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 32.1 m -69.13 -51.24 40.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.725 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.52 -38.7 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.77 -30.04 71.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 48.5 t -109.62 17.43 21.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -89.31 132.54 34.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 4.9 p30 -118.69 60.11 0.81 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.48 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -85.03 -69.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.0 t80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.627 ' HG ' ' H ' ' B' ' 5' ' ' GLU . 87.6 p -149.95 167.51 26.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.581 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -59.11 -34.9 72.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.521 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -74.44 -48.93 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.219 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.627 ' H ' ' HG ' ' B' ' 2' ' ' SER . 97.1 mt-10 -55.86 -53.19 59.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.69 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -64.96 -23.19 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.778 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.67 -52.54 38.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.643 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.8 mmm -68.31 -30.83 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.717 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -65.89 -29.37 69.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 58.3 m -76.86 -32.61 57.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.596 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.95 -53.47 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -58.87 -25.39 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.534 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.94 -37.26 84.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 95.3 t -85.39 -28.6 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.794 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.17 -62.96 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.889 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.535 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 3.2 p80 -61.42 -20.97 63.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.729 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.11 89.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.692 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -90.35 -21.22 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -63.03 -30.33 71.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.23 59.65 0.35 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -158.68 -81.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.699 0.285 . . . . 0.0 110.685 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.63 -43.57 8.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.517 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.477 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . -69.35 -168.69 6.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.533 ' OD2' ' N ' ' B' ' 25' ' ' LYS . 21.8 t70 -56.47 -120.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.579 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.533 ' N ' ' OD2' ' B' ' 24' ' ' ASP . 51.2 tttm -145.51 -36.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -109.15 -13.78 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.539 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -143.94 155.33 44.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.705 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -106.12 150.29 25.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -87.84 149.66 24.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.496 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.523 ' NZ ' ' O ' ' B' ' 68' ' ' GLU . 23.3 mtmm -68.63 -27.33 65.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.688 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -52.31 -38.75 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.21 -29.7 26.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.9 tp -51.7 -36.54 47.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -78.65 -25.38 44.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.711 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.36 -46.52 15.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 pp -74.98 -25.98 59.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.019 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mt -54.37 -53.57 52.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.326 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.482 ' O ' ' OG ' ' B' ' 42' ' ' SER . 42.8 mt-30 -69.42 -47.36 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.846 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 27.4 m -57.86 -45.53 86.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.46 -42.95 70.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.78 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.488 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 67.2 mt -86.29 -76.56 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.7 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 4.0 m 54.11 54.22 9.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.528 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.53 -49.72 0.02 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.473 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 46.2 m-85 -60.7 -25.29 66.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.734 0.302 . . . . 0.0 110.612 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.483 ' H ' ' CD2' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -82.94 -19.6 36.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.541 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -80.81 9.38 6.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.524 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -166.29 74.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.592 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -95.93 130.36 42.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.54 -77.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.636 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -74.26 134.47 42.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 p -88.95 -37.18 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.614 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.508 ' CG ' ' N ' ' B' ' 53' ' ' ALA . 16.7 p-10 -64.13 -56.1 17.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' B' ' 52' ' ' ASP . . . -53.69 -40.72 66.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 79.0 t -69.33 -23.47 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -78.55 -33.78 47.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.689 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -54.31 -64.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.504 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' B' ' 58' ' ' MET . 5.8 p -49.04 -37.75 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.658 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.41 ' N ' ' CG1' ' B' ' 57' ' ' VAL . 63.7 mtt -75.1 -34.1 61.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.643 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -57.24 -39.19 75.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.61 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.63 -41.02 72.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.477 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.37 -40.32 95.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.475 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.18 -41.69 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.67 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -67.52 -49.92 61.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.724 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -103.31 -110.7 0.24 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.72 18.69 56.07 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -56.64 -34.82 67.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.66 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.64 60.15 0.99 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.523 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 80.9 tt0 -168.37 113.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.75 0.309 . . . . 0.0 110.482 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.4 147.6 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.538 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.438 ' OD1' ' CD ' ' B' ' 73' ' ' GLU . 4.9 p-10 -92.09 -170.15 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.617 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -73.81 -46.05 47.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.752 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -62.83 -45.23 93.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.782 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.438 ' CD ' ' OD1' ' B' ' 70' ' ' ASP . 99.4 mt-10 -71.19 -18.45 62.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -81.87 -53.77 5.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 27.2 m -59.0 -45.11 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.054 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.37 -37.26 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.766 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.8 mt -69.72 -38.72 77.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.679 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.468 ' O ' ' OG1' ' B' ' 82' ' ' THR . 76.9 t -62.97 -26.82 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.589 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.66 -19.57 30.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.87 -64.82 0.82 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.322 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.438 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.07 -19.77 64.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.767 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 32.2 m -69.03 -51.34 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.685 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.38 -38.73 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.91 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 48.5 t -109.62 17.29 21.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.613 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -89.24 132.43 34.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.415 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 4.9 p30 -118.66 60.16 0.81 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -85.08 -69.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.671 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -76.51 166.76 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.622 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 7' ' ' ALA . 93.3 mt-10 -57.17 -25.18 58.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.415 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -52.49 -59.77 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.453 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -48.19 -45.29 33.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.724 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.0 -25.36 47.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -51.62 -33.98 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.451 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.6 mmm -85.06 -32.32 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.547 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.66 -29.29 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.2 m -69.55 -33.22 72.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.463 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -78.23 -52.16 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -55.46 -41.71 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.149 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 49.3 m-20 -60.91 -45.37 94.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.531 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.87 -37.09 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.468 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 18.3 t80 -53.14 -45.23 68.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.509 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -72.78 -22.11 60.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.519 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.91 -34.44 78.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.72 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -90.51 -33.16 16.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.64 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.8 p -61.93 -36.56 81.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.687 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.07 -36.04 84.95 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -59.32 -61.35 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -149.85 168.49 23.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.605 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.69 -171.14 52.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 27' ' ' LYS . 94.9 m-20 -67.1 146.63 54.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 110.499 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.51 -71.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.683 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -64.95 -44.71 88.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.614 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.487 ' O ' ' O ' ' A' ' 24' ' ' ASP . 51.1 mmtt -94.56 166.35 12.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.76 135.04 29.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.375 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.7 p -72.95 165.72 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -88.69 -1.58 58.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.627 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -79.15 -43.89 23.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.45 -25.93 66.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 33' ' ' LEU . 4.2 mm? -54.85 -57.65 10.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -55.61 -25.41 38.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.27 -52.21 7.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.288 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 pp -74.05 -33.13 63.59 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.269 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mt -50.76 -44.44 58.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.411 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -74.3 -39.02 63.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.0 m -70.6 -25.12 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.778 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -98.83 -50.38 4.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.6 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.0 mt -107.05 106.84 17.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.0 t -131.08 34.49 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.448 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.78 -45.11 0.13 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -59.08 -38.0 78.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.434 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' CD2' ' H ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.51 -3.04 31.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.395 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -87.9 -7.53 57.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.525 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.08 62.72 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -78.69 111.03 14.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -95.31 -51.12 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -73.08 -176.57 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.57 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -140.41 -53.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.321 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -52.43 -46.1 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.568 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.89 86.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.69 -26.08 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.573 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 51' ' ' VAL . 56.5 t0 -82.91 -36.08 25.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.651 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -57.2 -57.45 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.734 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.0 p -52.56 -36.5 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.633 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.1 mtt -70.56 -42.32 71.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -59.8 -26.22 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.686 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -50.68 -37.49 41.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.63 -41.68 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.591 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -68.64 -39.2 80.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.677 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.83 -90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -63.47 -81.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.39 12.61 84.39 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -165.13 9.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 0.0 110.619 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.59 -177.81 51.79 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -142.47 166.38 24.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 110.604 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.82 150.42 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.447 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 70' ' ' ASP . 5.6 p-10 -98.98 -56.63 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.592 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -167.64 -41.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -68.07 -51.26 48.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.794 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.475 ' OE1' ' OD1' ' A' ' 70' ' ' ASP . 55.3 mp0 -67.82 -18.85 64.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.404 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -74.49 -49.74 20.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.455 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.8 m -64.42 -25.98 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.737 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.88 -47.51 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 8.1 mp -62.74 -56.24 19.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.486 ' O ' ' OG1' ' A' ' 82' ' ' THR . 14.5 t -46.01 -39.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.5 -19.22 39.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -65.11 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.458 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.429 ' H ' ' CD2' ' A' ' 81' ' ' LEU . 1.6 pt? -68.65 -19.98 64.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.657 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 74.3 m -70.36 -61.81 1.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.935 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 p -56.88 -24.24 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.684 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.06 83.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 2.8 m -127.61 17.25 6.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.928 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 82' ' ' THR . 25.2 t-20 -66.4 -49.78 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.487 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 41.2 61.23 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.625 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -72.51 -39.01 67.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.9 t80 . . . . . 0 C--N 1.332 -0.177 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.681 -179.84 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -76.44 166.81 22.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 110.535 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' B' ' 7' ' ' ALA . 93.3 mt-10 -57.15 -25.15 58.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.489 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.417 ' C ' ' CD1' ' B' ' 4' ' ' LEU . 0.2 OUTLIER -52.57 -59.85 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.434 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -48.06 -45.4 32.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.727 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -25.23 48.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.759 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' B' ' 3' ' ' GLU . . . -51.74 -33.99 37.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 61.5 mmm -85.03 -32.3 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.595 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.59 -29.4 70.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.633 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.3 m -69.51 -33.33 72.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.403 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.2 mt -78.14 -52.26 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' B' ' 13' ' ' ASN . 0.2 OUTLIER -55.44 -41.63 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.226 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.436 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 49.3 m-20 -60.97 -45.36 95.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.441 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.92 -37.19 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.479 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' B' ' 15' ' ' PHE . 18.5 t80 -53.14 -45.12 68.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -72.81 -22.08 60.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.91 -34.51 78.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.693 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -90.42 -33.13 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.723 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.7 p -61.92 -36.62 81.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.666 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.07 -35.99 84.85 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -59.42 -61.19 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -150.04 168.57 23.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.46 -171.09 52.81 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.6 m-20 -67.02 146.63 54.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.553 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.51 -71.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.696 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -64.97 -44.71 88.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' B' ' 24' ' ' ASP . 51.1 mmtt -94.5 166.23 12.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.63 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.74 134.99 29.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.8 p -72.82 165.67 24.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -88.66 -1.62 58.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.667 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -79.08 -44.04 22.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.547 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.37 -25.93 66.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' B' ' 33' ' ' LEU . 4.2 mm? -54.87 -57.72 10.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.388 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -55.51 -25.55 37.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.993 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -81.15 -52.24 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.357 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 40' ' ' GLU . 3.0 pp -74.04 -33.03 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.275 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mt -50.88 -44.48 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.369 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -74.24 -39.07 63.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.665 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 24.0 m -70.54 -25.13 62.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.749 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' B' ' 36' ' ' LEU . 77.1 mm-40 -98.93 -50.36 4.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.596 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 48.9 mt -107.0 106.83 17.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.54 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.2 t -131.09 34.53 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.509 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.74 -45.18 0.13 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.12 -37.89 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.478 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.513 ' H ' ' CD2' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -75.59 -3.01 31.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.36 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -87.91 -7.43 57.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.12 62.64 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.481 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -78.69 110.96 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.56 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -95.26 -51.18 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -73.04 -176.57 2.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.573 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' B' ' 55' ' ' ASP . 0.4 OUTLIER -140.44 -53.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.287 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -52.53 -46.06 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.566 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.02 -41.79 86.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.62 -26.15 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' B' ' 51' ' ' VAL . 56.5 t0 -82.87 -36.17 25.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -57.18 -57.43 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 8.0 p -52.54 -36.65 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.517 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 65.0 mtt -70.48 -42.25 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.68 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.83 -26.25 65.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -50.59 -37.53 40.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.4 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 9.5 mp -65.53 -41.77 92.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.645 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -68.58 -39.27 81.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.694 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.82 -90.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -63.47 -81.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.592 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.5 12.47 84.5 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -165.08 9.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.547 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.63 -177.82 51.77 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -142.43 166.36 24.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.56 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.83 150.4 28.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.513 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 70' ' ' ASP . 5.6 p-10 -98.89 -56.67 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -167.67 -41.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -68.13 -51.26 48.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.775 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.467 ' OE1' ' OD1' ' B' ' 70' ' ' ASP . 55.3 mp0 -67.76 -18.91 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.989 0.424 . . . . 0.0 110.382 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -74.41 -49.72 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.9 m -64.45 -25.85 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.77 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.99 -47.48 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' B' ' 77' ' ' LEU . 8.0 mp -62.77 -56.27 19.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.551 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.484 ' O ' ' OG1' ' B' ' 82' ' ' THR . 14.5 t -46.04 -39.86 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.751 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.49 -19.36 38.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -65.05 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.564 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.425 ' CD2' ' H ' ' B' ' 81' ' ' LEU . 1.6 pt? -68.7 -20.0 64.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.661 -179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 75.5 m -70.35 -61.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.982 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 p -57.01 -24.31 20.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.652 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.13 83.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.798 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 2.9 m -127.55 17.25 6.98 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 82' ' ' THR . 25.4 t-20 -66.24 -49.96 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.509 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 41.24 61.22 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.575 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -72.46 -38.93 68.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.665 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 77.9 t80 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.692 -179.831 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -71.88 161.47 30.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.518 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.84 -21.64 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.9 tp -79.31 -31.02 43.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.706 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' B' ' 41' ' ' LEU . 81.9 mt-10 -65.4 -51.9 57.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -65.84 -20.72 66.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.585 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.98 -54.21 47.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.567 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mmt -64.74 -33.9 77.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.622 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.44 -31.38 70.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.1 m -78.35 -37.37 44.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.75 -45.91 87.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 tt -73.34 -22.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.43 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 56.4 t30 -57.33 -42.18 81.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.736 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 m -81.97 -34.54 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -56.61 -62.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.856 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 4.7 p80 -56.64 -31.4 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.523 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.619 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -64.37 -49.93 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.643 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -70.18 -45.91 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 m -59.14 -30.27 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.95 -25.47 23.83 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 22' ' ' GLU . 22.2 mtpp -64.83 170.55 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.615 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 21' ' ' LYS . 14.3 pt-20 -38.47 159.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.596 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.63 -171.41 37.91 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -71.32 118.51 14.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.508 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -72.48 -20.55 61.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -70.79 -45.57 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.612 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -110.94 163.0 14.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.67 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -129.41 138.27 51.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.38 174.64 3.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -99.56 -30.6 12.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -58.34 -45.71 87.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.671 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -66.82 -29.97 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.674 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.45 -46.07 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.691 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.41 -25.55 68.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -77.74 -51.69 10.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.975 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 40' ' ' GLU . 2.9 pp -71.27 -25.8 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.008 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.97 -39.86 91.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.469 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.49 -27.37 41.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.8 m -87.57 -27.14 22.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.877 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' LEU . 67.5 mm-40 -81.88 -50.17 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.826 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.483 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 9.9 mp -81.38 -63.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.891 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.486 ' O ' ' OG ' ' A' ' 42' ' ' SER . 8.8 t 43.37 31.84 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.448 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . -145.1 -62.89 0.02 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.572 ' C ' ' H ' ' A' ' 46' ' ' ASP . 24.3 m-85 -49.53 -46.18 48.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.648 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.466 ' C ' ' CD1' ' A' ' 45' ' ' LEU . 1.6 pp -58.13 0.37 0.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.572 ' H ' ' C ' ' A' ' 44' ' ' PHE . 16.4 t70 -87.69 3.43 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.66 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.32 76.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.658 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.93 89.27 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.438 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' NZ ' ' ND2' ' A' ' 87' ' ' ASN . 83.9 mttt -84.92 -68.56 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.649 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -56.29 127.53 31.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 52' ' ' ASP . 9.4 p -94.18 -40.67 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.436 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 95.5 m-20 -57.95 -44.92 87.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.604 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.15 -41.35 86.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.7 t -68.98 -26.02 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.653 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -76.7 -38.44 54.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -61.9 -57.78 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 58' ' ' MET . 8.7 p -57.39 -39.53 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.514 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.429 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 70.4 mmm -71.5 -39.49 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.455 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -63.5 -49.28 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -45.76 -27.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.236 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.08 -41.95 76.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.513 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -72.13 -34.74 68.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.727 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.01 -28.48 69.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.722 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.547 ' C ' ' H ' ' A' ' 66' ' ' ASP . 23.9 m-80 -145.97 51.76 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.64 7.05 1.11 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 64' ' ' ASN . 52.5 t0 -149.72 84.44 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.583 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.07 -152.09 7.8 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -144.91 167.47 22.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.792 0.33 . . . . 0.0 110.536 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -141.05 155.15 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -97.18 -167.44 1.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.85 -51.68 60.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.652 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.92 -40.14 92.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.696 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.16 -18.24 60.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.387 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -84.15 -46.52 11.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.682 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.4 m -69.03 -41.04 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.27 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 77' ' ' LEU . 9.8 p -56.97 -40.86 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.863 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.42 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 72.5 mt -59.98 -44.71 94.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.642 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.1 t -67.52 -34.49 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.576 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.01 -26.3 68.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.02 -64.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -50.18 -21.89 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.812 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' ASN . 19.3 m -78.15 -57.89 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.628 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.7 t -56.7 -24.43 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.802 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.81 -49.3 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.1 m -97.59 -5.09 36.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.87 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' THR . 23.3 t-20 -51.91 -44.98 64.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.55 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.44 ' ND2' ' NZ ' ' A' ' 49' ' ' LYS . 59.2 t-20 51.36 52.94 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.495 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -75.14 -71.36 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 79.3 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.756 -179.869 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -72.02 161.45 30.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.592 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -59.64 -21.7 60.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.706 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.8 tp -79.32 -30.95 43.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.483 ' OE2' ' O ' ' A' ' 41' ' ' LEU . 82.0 mt-10 -65.53 -51.8 57.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.563 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.6 t -65.88 -20.82 66.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.92 -54.26 46.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mmt -64.7 -33.89 77.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.609 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.61 -31.32 70.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.8 m -78.29 -37.36 45.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.75 -45.86 87.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.708 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 tt -73.38 -22.07 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.712 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.428 ' O ' ' NE2' ' B' ' 16' ' ' HIS . 56.4 t30 -57.34 -42.18 81.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 m -82.0 -34.51 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.839 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -56.56 -63.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.792 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.637 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 4.7 p80 -56.52 -31.41 64.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.56 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.637 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -64.51 -49.89 69.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -70.24 -45.81 65.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.9 m -59.26 -30.17 68.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.99 -25.43 23.98 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' B' ' 22' ' ' GLU . 22.2 mtpp -64.85 170.7 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.629 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' B' ' 21' ' ' LYS . 14.3 pt-20 -38.65 159.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.627 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.75 -171.39 37.69 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -71.44 118.45 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.477 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -72.42 -20.59 61.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.683 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -70.71 -45.63 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -111.0 163.04 14.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tp -129.4 138.16 51.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.31 174.7 3.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.624 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -99.6 -30.61 12.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.581 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -58.45 -45.63 88.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -66.84 -29.98 70.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.602 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.56 -45.99 77.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.662 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.45 -25.54 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -77.73 -51.69 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 40' ' ' GLU . 2.8 pp -71.29 -25.83 62.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.979 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.97 -39.83 91.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.46 -27.45 41.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 25.3 m -87.35 -27.29 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.951 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 36' ' ' LEU . 67.6 mm-40 -81.86 -50.17 9.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.469 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 9.9 mp -81.39 -63.48 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.847 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' B' ' 42' ' ' SER . 8.7 t 43.31 31.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.443 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' B' ' 46' ' ' ASP . . . -145.11 -62.9 0.02 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.576 ' C ' ' H ' ' B' ' 46' ' ' ASP . 24.3 m-85 -49.51 -46.18 48.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.772 0.32 . . . . 0.0 110.56 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' B' ' 45' ' ' LEU . 1.6 pp -58.15 0.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.576 ' H ' ' C ' ' B' ' 44' ' ' PHE . 16.3 t70 -87.66 3.52 47.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.712 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.38 76.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.68 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.9 89.18 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.429 ' NZ ' ' ND2' ' B' ' 87' ' ' ASN . 83.9 mttt -84.84 -68.61 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.632 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -56.42 127.6 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' B' ' 52' ' ' ASP . 9.2 p -94.19 -40.66 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.436 ' N ' ' CG1' ' B' ' 51' ' ' VAL . 95.5 m-20 -57.89 -44.92 87.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.622 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.31 86.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 79.6 t -69.1 -25.91 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -76.68 -38.59 54.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.531 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -61.84 -57.81 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.749 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' B' ' 58' ' ' MET . 8.5 p -57.31 -39.59 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.536 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.436 ' N ' ' CG1' ' B' ' 57' ' ' VAL . 70.5 mmm -71.51 -39.48 70.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.483 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -63.45 -49.29 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -45.84 -26.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.202 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.06 -42.0 76.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.519 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -72.11 -34.75 68.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.01 -28.55 69.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.659 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.534 ' C ' ' H ' ' B' ' 66' ' ' ASP . 23.9 m-80 -145.91 51.78 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 7.1 1.12 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' B' ' 64' ' ' ASN . 52.4 t0 -149.76 84.46 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.557 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.03 -152.1 7.79 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -144.9 167.46 22.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.56 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -141.07 155.2 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -97.23 -167.46 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.495 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.79 -51.73 60.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.86 -40.28 92.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.661 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.01 -18.45 60.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.354 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -83.99 -46.52 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.759 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 31.3 m -69.03 -41.12 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.143 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' B' ' 77' ' ' LEU . 9.8 p -56.93 -40.94 75.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 110.855 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.425 ' N ' ' CG1' ' B' ' 76' ' ' VAL . 72.5 mt -59.79 -44.75 93.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.688 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.56 -34.41 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.685 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.99 -26.33 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.98 -64.45 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.367 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' B' ' 81' ' ' LEU . 0.0 OUTLIER -50.26 -21.87 1.54 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.846 179.698 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.451 ' O ' ' N ' ' B' ' 86' ' ' ASN . 19.5 m -78.06 -57.93 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 66.0 t -56.7 -24.5 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.79 -49.33 62.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.3 m -97.48 -5.24 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.924 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 82' ' ' THR . 23.2 t-20 -51.92 -44.83 64.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.585 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.429 ' ND2' ' NZ ' ' B' ' 49' ' ' LYS . 59.3 t-20 51.15 53.01 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -75.12 -71.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 79.5 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.73 -179.851 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -81.95 153.11 26.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 0.0 110.598 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.24 -26.51 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -66.18 -28.96 69.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.505 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -67.77 -59.11 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.731 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -64.91 -29.17 70.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.99 -48.96 21.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -34.51 78.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.399 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -66.14 -24.5 66.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.494 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.6 m -76.31 -33.45 59.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.05 -51.65 30.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.802 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 tt -62.61 -26.88 41.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.701 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -57.01 -39.3 74.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.738 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -83.73 -32.11 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.51 -62.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.701 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.538 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.6 p80 -58.55 -20.91 50.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.413 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -67.27 -45.44 76.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.706 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -90.15 -16.29 29.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.734 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 p -61.67 -28.25 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.599 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.68 -120.55 0.1 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 59.01 -121.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.704 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -76.98 45.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.648 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.75 -150.14 32.41 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 57.33 47.78 16.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.487 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -73.07 -11.16 60.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -92.61 -55.04 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.646 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -107.29 170.85 7.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.631 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -137.82 135.83 36.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.448 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -76.43 156.53 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.648 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -79.63 -30.27 41.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.709 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -56.18 -22.97 32.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -85.03 -35.86 21.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.743 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mt -54.12 -55.95 22.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.507 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -55.47 -25.37 36.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.661 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.31 -54.16 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.79 -25.75 63.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.099 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' LEU . 10.6 mt -57.38 -44.11 84.16 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.314 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -75.21 -46.21 35.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.9 m -64.84 -37.96 89.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.078 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -92.48 -50.37 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.867 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 tp -98.88 99.5 10.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.335 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -133.26 55.24 1.91 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.26 -36.25 0.2 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' C ' ' H ' ' A' ' 46' ' ' ASP . 77.1 m-85 -83.4 -43.49 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.736 0.303 . . . . 0.0 110.523 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' C ' ' CD1' ' A' ' 45' ' ' LEU . 1.6 pp -59.61 0.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.492 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.574 ' H ' ' C ' ' A' ' 44' ' ' PHE . 9.0 t70 -93.8 4.14 54.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.43 65.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.585 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -86.47 80.91 8.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.564 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.05 -40.87 71.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.612 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -83.19 137.13 34.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.547 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.6 -54.91 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.416 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -52.53 -44.47 65.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.73 99.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.83 -22.29 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.695 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.8 -34.96 64.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -59.73 -54.09 50.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.694 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.1 p -59.06 -39.31 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.753 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 58' ' ' MET . 11.3 tmm? -71.14 -40.44 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -61.39 -38.36 86.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.16 -35.82 27.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 65' ' ' GLY . 57.6 mt -63.23 -39.65 95.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.481 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.63 -39.99 95.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.52 -38.0 89.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -167.79 76.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.618 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -67.76 -32.69 78.49 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -91.44 12.66 19.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.333 . . . . 0.0 110.589 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.66 153.05 41.87 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -98.0 156.62 16.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.473 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.1 150.41 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.603 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -96.35 -172.79 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.04 -56.5 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -57.37 -44.67 84.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -67.9 -18.39 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.365 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -87.28 -64.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.3 m -43.92 -43.8 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 77' ' ' LEU . 8.8 p -58.56 -41.8 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.896 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.404 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 16.6 mt -62.66 -47.89 81.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.511 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.477 ' O ' ' OG1' ' A' ' 82' ' ' THR . 53.0 t -52.41 -27.53 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.39 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.62 -19.38 31.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.62 -64.63 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.431 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -64.5 -19.56 65.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.154 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 96.6 m -68.76 -53.84 19.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.677 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 82.4 t -61.13 -24.41 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.73 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.46 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' ASN . 2.7 m -94.49 -26.34 16.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.859 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' CYS . 4.0 t-20 -36.37 -55.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.708 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' ASN . 22.4 t-20 39.76 44.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.583 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -76.17 -61.29 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.707 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.702 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -81.9 153.08 26.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.17 -26.62 68.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.578 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.5 tp -66.09 -28.94 69.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -67.83 -59.09 3.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.736 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -64.95 -29.16 70.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.642 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.93 -48.95 21.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.491 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -34.49 77.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -66.18 -24.42 66.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 43.9 m -76.32 -33.43 59.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.662 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 mt -70.07 -51.65 30.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.752 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -62.62 -26.95 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.666 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -56.9 -39.27 74.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 71.8 t -83.83 -32.12 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.786 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -60.57 -62.51 1.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.672 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.538 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 3.5 p80 -58.55 -20.84 49.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.741 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.407 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -67.36 -45.35 76.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -90.21 -16.31 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.718 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.8 p -61.67 -28.27 69.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.635 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.59 -120.52 0.1 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 59.0 -121.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.737 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -76.98 45.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.77 -150.14 32.37 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 57.28 47.76 16.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.511 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -73.06 -11.13 60.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -92.59 -55.04 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.689 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -107.27 170.87 7.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.668 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tp -137.83 135.92 36.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.414 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 89.2 p -76.54 156.53 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -79.69 -30.16 40.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.687 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -56.26 -22.99 33.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.537 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -85.01 -35.87 21.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.745 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mt -54.18 -55.92 23.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.526 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -55.33 -25.46 34.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.741 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.27 -54.27 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.72 -25.71 63.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.074 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' B' ' 41' ' ' LEU . 10.6 mt -57.48 -44.06 84.6 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.261 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -75.14 -46.32 35.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.0 m -64.8 -38.04 89.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.952 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -92.47 -50.35 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.858 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' B' ' 37' ' ' LEU . 1.7 tp -98.86 99.36 10.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.395 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -133.27 55.43 1.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.488 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.31 -36.26 0.2 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.566 ' C ' ' H ' ' B' ' 46' ' ' ASP . 77.2 m-85 -83.44 -43.51 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.682 0.277 . . . . 0.0 110.422 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' B' ' 45' ' ' LEU . 1.6 pp -59.73 0.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.501 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.566 ' H ' ' C ' ' B' ' 44' ' ' PHE . 8.9 t70 -93.76 4.13 54.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.49 65.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -86.47 80.99 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.56 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.12 -40.92 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -83.2 137.09 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.641 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -54.83 6.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -52.58 -44.4 65.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.658 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.79 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.81 -22.38 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.645 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.72 -35.01 65.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.661 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -59.67 -54.03 51.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.825 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.09 -39.23 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.693 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.421 ' C ' ' SD ' ' B' ' 58' ' ' MET . 11.4 tmm? -71.29 -40.3 70.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.656 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -61.52 -38.31 86.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.21 -35.81 28.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' B' ' 65' ' ' GLY . 57.5 mt -63.11 -39.76 95.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -62.46 -40.08 95.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -64.51 -37.99 89.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.624 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -167.84 76.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.623 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -67.7 -32.67 78.7 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -91.46 12.73 19.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.312 . . . . 0.0 110.577 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.7 152.97 41.68 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -97.94 156.55 16.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.778 0.323 . . . . 0.0 110.496 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.14 150.42 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -96.31 -172.81 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.456 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -60.08 -56.47 21.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.532 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -57.33 -44.72 84.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.345 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.8 -18.55 64.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.355 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -87.1 -64.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.556 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -44.04 -43.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.014 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 77' ' ' LEU . 8.7 p -58.51 -41.83 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.823 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.416 ' N ' ' CG1' ' B' ' 76' ' ' VAL . 16.6 mt -62.71 -47.84 81.83 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.578 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.479 ' O ' ' OG1' ' B' ' 82' ' ' THR . 52.9 t -52.33 -27.63 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.385 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.59 -19.41 31.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.786 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.7 -64.56 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.197 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -64.42 -19.86 65.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.165 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 96.5 m -68.56 -53.78 20.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.746 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.21 -24.42 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.691 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.58 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' B' ' 86' ' ' ASN . 2.7 m -94.33 -26.34 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.914 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' B' ' 85' ' ' CYS . 4.0 t-20 -36.46 -55.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.686 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 39.73 44.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.521 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -76.24 -61.3 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.623 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.67 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -70.73 155.1 41.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.59 -24.82 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.687 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.9 tp -71.61 -32.05 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.39 -46.67 87.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.672 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.0 t -81.78 -20.99 38.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.599 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.99 -47.64 74.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.673 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.2 mmm -71.84 -29.73 64.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.683 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 75.5 mm-40 -65.22 -22.25 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.626 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.0 m -78.09 -45.74 22.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.06 -39.52 86.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.795 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.459 HD11 HG21 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.59 -37.25 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.327 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.8 m120 -64.06 -60.84 2.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -54.63 -30.37 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.752 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -61.66 -44.77 96.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -73.35 -31.31 63.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.57 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.43 -29.82 68.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.5 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -94.16 -56.04 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.49 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 10.6 t -61.51 -28.48 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.509 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.95 -19.09 0.49 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' SER . 20.8 ptmt -67.01 -167.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -65.86 -172.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.529 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.87 -159.07 51.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 27' ' ' LYS . 58.5 m-20 -69.06 104.04 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.329 . . . . 0.0 110.594 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' O ' ' OG ' ' A' ' 19' ' ' SER . 30.2 mtmm -71.83 -29.2 64.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -71.73 -32.98 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.752 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 40.1 mmtm -115.06 143.01 45.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.699 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.6 tp -98.31 140.02 33.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.39 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.6 p -79.37 165.85 22.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -89.2 -17.56 28.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.651 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -63.09 -59.63 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -64.19 -31.83 73.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.6 tp -48.71 -45.12 38.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -70.01 -25.4 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.79 -57.35 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.16 -31.17 71.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.074 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.44 ' C ' HE21 ' A' ' 38' ' ' GLN . 8.9 mt -52.62 -48.75 66.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.618 ' N ' HE21 ' A' ' 38' ' ' GLN . 3.5 mm-40 -73.34 -50.34 22.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.872 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.7 m -55.88 -41.42 74.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.696 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -79.0 -10.5 59.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.673 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 mt -129.19 -82.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.661 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' GLN . 25.8 t 56.84 49.49 14.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.98 -47.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.563 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 41.6 m-85 -58.74 -26.37 63.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.724 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.492 ' CD2' ' H ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -78.84 -12.35 60.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.652 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 58.1 t0 -87.57 7.45 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.693 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.0 63.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.482 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -94.93 112.81 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.686 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HZ3' HD21 ' A' ' 87' ' ' ASN . 62.0 mttp -93.95 -65.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 79.2 m-20 -61.11 154.79 22.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.503 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.36 -58.01 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.453 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 15.1 p-10 -50.54 -47.68 57.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.632 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.72 89.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 50' ' ' ASP . 75.1 t -66.73 -28.03 41.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -83.04 -20.12 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.326 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -57.29 -54.03 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.586 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.4 p -62.84 -38.94 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.574 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 31.1 tpp -63.93 -34.77 78.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -58.61 -43.04 89.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.87 -40.25 75.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.39 -42.83 87.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.34 -33.15 72.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -48.53 -33.83 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.466 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 1.7 p30 -161.68 -62.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.649 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.466 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . 85.17 11.78 75.13 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.44 18.28 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.26 -160.9 34.78 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -135.69 159.22 42.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.349 . . . . 0.0 110.453 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.08 147.47 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.499 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -89.69 -157.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.561 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -87.32 -56.13 3.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.698 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -58.11 -44.27 87.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.75 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.571 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 40.5 mp0 -71.07 -27.26 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.318 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -68.55 -56.96 6.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.387 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.5 m -51.91 -31.02 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.584 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.49 ' CG2' ' CG2' ' B' ' 76' ' ' VAL . 47.6 t -64.18 -43.09 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.404 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.2 mt -65.72 -40.41 92.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.26 -29.06 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.683 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.0 -19.4 30.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.773 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.7 -64.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.444 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -60.54 -19.76 58.21 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.911 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.5 m -73.2 -50.52 22.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.685 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.17 -38.65 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.24 -38.13 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.618 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.563 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 38.2 m -91.9 -33.4 14.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.553 ' ND2' ' CD1' ' A' ' 88' ' ' PHE . 13.9 t-20 -44.74 140.43 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.486 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.426 HD21 ' HZ3' ' A' ' 49' ' ' LYS . 52.1 p30 -150.27 50.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.625 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.553 ' CD1' ' ND2' ' A' ' 86' ' ' ASN . 9.2 m-85 -72.87 -39.36 66.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.593 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.771 -179.77 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.8 m -70.79 155.21 41.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.772 0.32 . . . . 0.0 110.572 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.65 -24.82 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 45.8 tp -71.62 -32.05 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.73 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.38 -46.6 87.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.747 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -81.78 -20.92 38.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.666 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.65 74.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.666 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.2 mmm -71.81 -29.85 64.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.623 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 75.4 mm-40 -65.24 -22.12 66.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 23.0 m -78.2 -45.73 22.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.7 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.9 mt -67.04 -39.57 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.748 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.415 HD11 HG21 ' B' ' 12' ' ' ILE . 0.3 OUTLIER -68.58 -37.31 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.356 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 1.8 m120 -63.9 -60.81 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -54.74 -30.3 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -61.65 -44.78 96.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.546 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -73.31 -31.32 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.588 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.41 -29.8 68.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.536 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -94.18 -56.14 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 10.5 t -61.44 -28.46 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.556 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.99 -19.1 0.5 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' B' ' 19' ' ' SER . 20.8 ptmt -66.9 -167.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 0.0 110.602 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -65.83 -172.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.507 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.82 -159.08 51.16 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 27' ' ' LYS . 58.6 m-20 -69.14 104.18 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.53 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.493 ' O ' ' OG ' ' B' ' 19' ' ' SER . 30.3 mtmm -71.88 -29.26 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -71.68 -33.07 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' B' ' 24' ' ' ASP . 40.2 mmtm -115.06 143.08 45.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.733 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.4 tp -98.26 139.97 33.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.486 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.3 p -79.38 165.8 22.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -89.09 -17.63 28.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.684 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -63.08 -59.66 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -64.19 -31.85 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.529 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 44.6 tp -48.61 -45.27 37.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -69.84 -25.51 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.81 -57.3 3.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.047 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.15 -31.16 71.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.088 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.433 ' C ' HE21 ' B' ' 38' ' ' GLN . 8.9 mt -52.74 -48.64 66.57 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.436 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.619 ' N ' HE21 ' B' ' 38' ' ' GLN . 3.5 mm-40 -73.25 -50.45 22.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.846 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.1 m -55.92 -41.28 74.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.71 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -79.16 -10.45 59.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.3 mt -129.26 -82.84 0.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.485 ' N ' ' O ' ' B' ' 38' ' ' GLN . 25.9 t 56.92 49.44 14.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.591 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.95 -47.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.562 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 41.6 m-85 -58.71 -26.45 63.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.717 0.294 . . . . 0.0 110.649 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.484 ' H ' ' CD2' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -78.81 -12.31 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.617 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 58.1 t0 -87.58 7.39 29.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.692 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.99 63.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -94.97 112.76 24.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.707 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.439 ' HZ3' HD21 ' B' ' 87' ' ' ASN . 62.1 mttp -93.85 -65.06 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.526 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 79.2 m-20 -61.11 154.85 21.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.541 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.39 -58.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.343 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' B' ' 52' ' ' ASP . 15.3 p-10 -50.56 -47.69 57.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.694 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.87 89.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' B' ' 50' ' ' ASP . 76.2 t -66.7 -27.99 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -82.91 -20.21 35.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -57.32 -53.97 52.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.539 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 13.4 p -62.89 -38.89 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 30.9 tpp -63.85 -34.87 78.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -58.63 -43.0 89.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.88 -40.13 75.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.598 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.46 -42.87 86.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -69.3 -33.12 72.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.584 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -48.69 -33.76 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.572 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.458 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 1.7 p30 -161.6 -62.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.65 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.458 ' H ' ' CG ' ' B' ' 64' ' ' ASN . . . 85.16 11.74 75.28 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.34 18.2 1.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.528 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.25 -160.78 34.61 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -135.76 159.19 42.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.799 0.333 . . . . 0.0 110.389 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -137.14 147.39 26.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.504 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -89.64 -157.83 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.66 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -87.23 -56.24 3.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.695 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -58.04 -44.3 87.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.573 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 40.5 mp0 -70.96 -27.2 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.472 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -68.64 -56.96 6.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.326 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.5 m -51.94 -31.0 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.49 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 47.7 t -64.11 -43.14 97.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.63 -40.4 92.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.544 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.31 -29.23 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.74 -19.49 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.799 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.86 -64.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.339 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -60.54 -19.9 58.68 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.889 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -73.15 -50.58 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.695 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.09 -38.65 82.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.74 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.18 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 38.3 m -91.93 -33.5 14.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.562 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.556 ' ND2' ' CD1' ' B' ' 88' ' ' PHE . 13.8 t-20 -44.66 140.37 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.525 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.439 HD21 ' HZ3' ' B' ' 49' ' ' LYS . 52.1 p30 -150.21 50.69 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.593 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.556 ' CD1' ' ND2' ' B' ' 86' ' ' ASN . 9.3 m-85 -72.9 -39.21 66.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.682 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.756 -179.853 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 m -92.42 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 52.6 mp0 -62.55 -23.52 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.554 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.06 -43.36 58.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.33 -53.72 55.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.7 t -63.73 -21.79 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.682 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.59 -46.92 67.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.557 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.7 mmm -70.37 -30.9 67.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.503 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 73.9 mm-40 -67.88 -21.6 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.663 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.6 m -80.56 -33.47 36.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.709 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.61 -45.32 59.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.787 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 tt -66.41 -22.58 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 93.3 m-20 -61.8 -40.85 96.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.3 m -83.26 -24.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.8 -62.86 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.669 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 3.5 p80 -59.8 -33.63 71.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.641 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.669 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -59.57 -44.43 93.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.694 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -80.14 -35.08 37.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.716 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 p -65.69 -26.28 67.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.54 -24.74 48.05 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 22' ' ' GLU . 14.1 ptpt -139.14 173.12 11.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 110.601 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 21' ' ' LYS . 92.0 mt-10 57.54 120.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.54 -144.08 36.54 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 63.5 t0 -67.86 138.3 55.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 16.5 pttp -84.02 36.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -149.27 -44.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -126.45 153.54 44.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.54 151.39 21.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' H ' ' A' ' 68' ' ' GLU . 59.6 p -86.9 158.8 19.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.645 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.36 -33.53 74.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -57.92 -56.23 24.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.49 ' NE2' ' OE1' ' A' ' 35' ' ' GLU . 24.8 mm100 -57.89 -27.6 63.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.681 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 tt -53.07 -36.56 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.556 ' HZ2' ' CD1' ' A' ' 61' ' ' LEU . 22.2 mtpp -76.86 -25.28 52.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.49 ' OE1' ' NE2' ' A' ' 32' ' ' GLN . 50.6 tt0 -76.68 -47.04 23.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.33 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 pp -72.35 -28.32 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.316 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mt -51.99 -62.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.43 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -64.22 -44.78 90.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 4.1 m -56.74 -45.7 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.835 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -71.7 -47.13 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.749 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 7.4 mp -82.22 -105.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.753 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 2.4 p 80.49 36.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.58 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.89 -56.21 0.03 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.62 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 59.5 m-85 -57.12 -48.53 78.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 110.551 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.15 -21.38 65.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.629 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.52 2.79 46.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.23 29.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.88 140.05 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -89.76 -72.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -80.43 131.71 35.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.75 -42.93 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.432 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.565 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 34.3 p-10 -53.35 -38.18 63.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.688 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.565 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.62 -44.05 91.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.88 -27.16 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -83.0 -20.14 35.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.438 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -58.46 -59.26 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.451 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.92 -34.75 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.558 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.0 ttt -56.19 -37.91 70.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -62.01 -38.27 88.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.04 -41.79 75.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.634 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.556 ' CD1' ' HZ2' ' A' ' 34' ' ' LYS . 73.2 mt -69.27 -34.08 74.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.625 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.12 -44.6 94.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.571 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -75.34 -45.05 41.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -96.03 34.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.683 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.04 43.56 2.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -87.45 -81.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 110.669 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 168.72 174.45 37.38 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' A' ' 67' ' ' GLY . 98.6 mt-10 56.13 119.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 0.0 110.573 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.0 145.56 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.651 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 42.0 t0 -87.6 150.26 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.438 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.447 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 71.1 t80 -50.73 -44.57 58.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.22 -50.59 72.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.662 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -64.23 -18.48 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.415 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -83.77 -63.79 1.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.623 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.9 m -49.83 -45.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.942 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 77' ' ' LEU . 6.0 p -59.26 -39.54 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.729 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.43 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 3.8 tp -65.08 -35.54 81.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.468 ' O ' ' OG1' ' A' ' 82' ' ' THR . 92.4 t -64.31 -27.39 42.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.511 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.0 -19.59 30.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.21 -64.96 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.166 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.458 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.15 -19.81 64.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.827 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.533 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 45.7 m -69.97 -40.16 75.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.595 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.78 -37.73 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.645 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.31 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.62 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 27.2 p -98.48 -14.68 19.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -51.09 135.3 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.543 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -142.56 35.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.552 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 43.5 m-85 -79.85 -6.81 58.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.421 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 74.3 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m -92.34 162.77 14.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.415 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 52.6 mp0 -62.6 -23.47 67.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.1 -43.32 58.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.423 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.29 -53.75 54.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.707 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 14.7 t -63.66 -21.89 66.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.663 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.59 -46.97 67.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -70.28 -30.94 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.469 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 74.0 mm-40 -67.89 -21.56 65.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.666 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.7 m -80.65 -33.4 35.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.65 -45.39 59.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.749 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 tt -66.4 -22.5 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.689 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 93.5 m-20 -61.87 -40.79 96.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.3 m -83.13 -24.26 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -69.76 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.725 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.673 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 3.5 p80 -59.84 -33.64 72.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.673 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.52 -44.49 93.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -80.17 -35.05 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.0 p -65.67 -26.28 67.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.606 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.64 -24.71 48.71 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 22' ' ' GLU . 14.2 ptpt -139.1 173.08 11.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.637 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' B' ' 21' ' ' LYS . 91.8 mt-10 57.57 120.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.48 -144.03 36.55 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 63.5 t0 -67.85 138.43 56.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.555 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.418 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 16.5 pttp -84.14 36.08 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.514 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -149.19 -44.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.637 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -126.38 153.59 44.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.51 151.48 21.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.5 p -87.0 158.74 19.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.33 -33.52 74.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.773 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -57.9 -56.15 25.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.494 ' NE2' ' OE1' ' B' ' 35' ' ' GLU . 24.8 mm100 -58.05 -27.48 63.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.56 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 tt -53.12 -36.66 61.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.565 ' HZ2' ' CD1' ' B' ' 61' ' ' LEU . 22.2 mtpp -76.79 -25.3 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.494 ' OE1' ' NE2' ' B' ' 32' ' ' GLN . 50.6 tt0 -76.65 -47.01 23.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.371 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 pp -72.48 -28.12 62.71 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.305 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -52.16 -62.01 1.9 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.363 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -64.29 -44.7 90.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 4.1 m -56.71 -45.82 81.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.832 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -71.63 -47.08 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.504 ' N ' ' CD1' ' B' ' 41' ' ' LEU . 7.3 mp -82.21 -105.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.72 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 2.4 p 80.44 36.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.01 -56.21 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.622 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 59.4 m-85 -56.95 -48.66 77.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.516 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.18 -21.33 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.665 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.48 2.75 46.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.561 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.2 29.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.9 140.04 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.635 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -89.71 -72.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -80.43 131.8 35.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.78 -42.99 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.409 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 34.6 p-10 -53.31 -38.18 62.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.692 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.572 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -64.6 -44.07 91.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.85 -27.25 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.519 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -82.83 -20.28 35.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -58.45 -59.23 5.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.383 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 8.6 p -61.91 -34.71 64.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.0 ttt -56.17 -37.91 70.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -62.06 -38.28 88.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.623 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.04 -41.71 75.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.627 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.565 ' CD1' ' HZ2' ' B' ' 34' ' ' LYS . 73.6 mt -69.3 -34.16 74.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.65 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -59.98 -44.59 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.39 -44.95 42.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.626 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -96.07 34.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.658 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.02 43.58 2.48 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -87.55 -81.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 168.72 174.44 37.38 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' B' ' 67' ' ' GLY . 98.6 mt-10 56.13 119.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.792 0.329 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.96 145.57 35.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 42.1 t0 -87.61 150.28 23.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.453 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 70.8 t80 -50.67 -44.67 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.653 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -61.13 -50.6 72.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.71 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -64.23 -18.56 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.406 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -83.69 -63.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.604 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 35.9 m -49.71 -45.73 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.933 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' B' ' 77' ' ' LEU . 6.0 p -59.24 -39.66 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.593 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.439 ' N ' ' CG1' ' B' ' 76' ' ' VAL . 3.8 tp -65.02 -35.56 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.702 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.464 ' O ' ' OG1' ' B' ' 82' ' ' THR . 93.1 t -64.29 -27.44 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.517 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.59 30.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.33 -64.76 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.214 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.17 -19.96 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.838 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.527 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 46.5 m -69.93 -40.16 75.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.621 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 76.7 t -65.66 -37.8 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.706 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.34 -30.34 69.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.622 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 27.1 p -98.46 -14.68 19.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -51.06 135.35 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.542 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -142.61 35.61 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.548 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 43.5 m-85 -79.95 -6.71 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.423 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 74.8 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -141.92 163.85 31.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.462 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.38 -29.57 70.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.702 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.9 tp -70.35 -32.05 69.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.588 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.36 -48.35 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.759 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -77.53 -21.43 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.506 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.78 -43.31 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.5 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.8 mmm -73.22 -32.3 64.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.429 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -65.42 -23.61 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.3 m -75.02 -40.8 60.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.656 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.87 -46.59 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -61.99 -42.42 94.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.282 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.452 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 55.2 t30 -57.69 -45.86 85.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.646 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -72.0 -35.87 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -51.16 -53.17 37.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.611 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.4 p80 -73.84 -22.18 59.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.707 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.478 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -62.85 -33.21 74.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.762 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -88.96 -35.96 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.33 -36.04 79.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.667 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.16 76.96 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -68.73 -109.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.668 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -90.79 167.26 12.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . 87.98 -155.29 26.36 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 23' ' ' GLY . 14.3 m-20 -58.34 -130.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.49 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -145.11 -40.7 0.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.474 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -114.65 -6.91 12.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.32 154.87 37.05 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tp -121.63 142.72 49.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.498 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -98.37 167.93 10.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.755 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.12 -34.83 71.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.41 -30.55 62.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.71 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -78.67 -34.91 45.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -54.19 -53.91 47.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.46 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -53.95 -25.62 21.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.17 -57.65 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.309 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.65 -32.93 74.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.172 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -50.67 -48.35 58.45 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.534 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' O ' ' OG ' ' A' ' 42' ' ' SER . 75.8 mt-30 -72.36 -52.84 14.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -56.47 -34.46 66.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.832 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -82.4 -44.5 16.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.884 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -89.74 -85.48 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.492 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 3.5 m 56.82 33.52 23.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.329 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.2 -50.65 0.05 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -64.27 -48.88 74.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.561 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.39 -14.25 61.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 42' ' ' SER . 7.3 m-20 -85.21 1.05 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.85 37.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -74.66 131.04 40.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -93.75 -44.33 8.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -77.04 131.9 38.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.19 -40.22 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.682 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -65.15 -43.78 90.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.84 98.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.631 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.81 -29.58 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -75.95 -41.43 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -59.61 -54.85 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.592 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -57.4 -39.78 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.693 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.1 tpp -73.4 -35.9 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -63.92 -37.48 87.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -53.86 -36.66 62.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.657 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 65' ' ' GLY . 12.3 mt -73.75 -39.29 64.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.564 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -67.04 -41.35 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.27 -36.57 84.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' ASP . 2.8 m120 -90.75 -69.54 0.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.56 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 40.78 25.09 0.1 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ASN . 64.1 m-20 -157.15 89.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.51 153.99 6.02 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.42 ' N ' ' OE1' ' A' ' 68' ' ' GLU . 43.9 mp0 -86.98 -175.79 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.49 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.62 150.76 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.4 t70 -100.0 178.46 4.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.539 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.488 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 67.1 t80 -55.24 -55.06 35.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -58.68 -45.43 89.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.639 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.544 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 17.9 mp0 -70.39 -18.61 63.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.019 0.438 . . . . 0.0 110.413 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.69 -60.99 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.6 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 m -47.81 -47.44 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.963 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 77' ' ' LEU . 11.4 p -54.76 -45.35 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.896 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.449 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 71.3 mt -59.2 -37.92 78.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.737 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.469 ' O ' ' OG1' ' A' ' 82' ' ' THR . 73.4 t -67.09 -29.1 45.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.76 -19.48 30.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.42 -64.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.176 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -64.02 -19.81 65.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.949 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 74.8 m -68.55 -50.62 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.653 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.46 -28.68 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.684 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.84 90.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.78 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.8 t -96.69 -36.66 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.795 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -42.32 -54.07 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.687 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 43.73 57.23 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.537 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -66.51 -75.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.712 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 85.9 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.68 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -141.99 163.8 31.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.482 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.48 -29.43 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.689 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 42.7 tp -70.33 -32.08 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.581 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.38 -48.35 70.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.756 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -77.46 -21.48 52.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.626 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.35 62.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.505 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 50.7 mmm -73.2 -32.32 64.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -65.42 -23.61 66.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 24.2 m -75.02 -40.81 60.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.669 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -70.98 -46.48 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.651 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' B' ' 13' ' ' ASN . 0.2 OUTLIER -61.92 -42.47 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.46 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 55.3 t30 -57.65 -45.87 84.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.677 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 69.8 t -72.0 -35.85 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.708 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -51.19 -53.05 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.7 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.535 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 3.3 p80 -73.98 -22.05 59.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.703 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.48 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -62.83 -33.28 74.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -89.01 -35.96 16.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.639 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.31 -36.05 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.11 -30.17 77.0 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -68.63 -109.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.621 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -90.82 167.25 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.582 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . 88.03 -155.29 26.3 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' B' ' 23' ' ' GLY . 14.3 m-20 -58.38 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.473 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -145.11 -40.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -114.55 -6.94 12.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.497 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.36 154.78 37.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 tp -121.59 142.72 49.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -98.3 167.92 10.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.792 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.13 -34.88 71.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.34 -30.59 62.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -78.68 -34.91 45.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.817 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -54.17 -53.85 47.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.545 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -54.05 -25.53 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.23 -57.54 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.321 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.84 -32.82 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.166 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -50.64 -48.35 58.17 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.597 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.482 ' O ' ' OG ' ' B' ' 42' ' ' SER . 75.8 mt-30 -72.3 -52.94 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.4 m -56.45 -34.49 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.868 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -82.41 -44.45 16.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -89.73 -85.39 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.914 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 3.5 m 56.74 33.61 23.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.332 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.29 -50.63 0.05 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -64.34 -48.9 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.482 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.35 -14.32 61.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' B' ' 42' ' ' SER . 7.3 m-20 -85.17 1.05 49.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.538 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.83 37.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.5 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -74.71 130.95 40.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -93.7 -44.29 8.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -77.03 131.88 38.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.32 -40.07 7.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -65.25 -43.71 90.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.634 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.63 98.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.664 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.9 t -68.04 -29.48 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.612 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -75.96 -41.46 51.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -59.57 -54.82 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.584 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -57.42 -39.69 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.779 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.0 tpp -73.43 -35.92 65.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -63.96 -37.45 87.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.595 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -53.93 -36.53 62.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 65' ' ' GLY . 12.3 mt -73.85 -39.3 64.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -66.95 -41.36 87.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.39 -36.39 83.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' B' ' 66' ' ' ASP . 2.8 m120 -90.82 -69.47 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . 40.67 25.17 0.09 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' B' ' 64' ' ' ASN . 64.3 m-20 -157.16 89.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.57 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.38 154.01 6.02 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' B' ' 68' ' ' GLU . 43.9 mp0 -86.95 -175.77 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.467 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.7 150.69 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.475 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.3 t70 -99.91 178.51 4.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.475 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 66.8 t80 -55.28 -55.09 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -58.74 -45.31 89.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.733 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 17.8 mp0 -70.44 -18.69 63.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.957 0.408 . . . . 0.0 110.359 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.65 -61.01 1.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 m -47.76 -47.54 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.861 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' B' ' 77' ' ' LEU . 11.4 p -54.69 -45.34 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.932 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.453 ' N ' ' CG1' ' B' ' 76' ' ' VAL . 71.0 mt -59.24 -37.88 78.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.746 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' B' ' 82' ' ' THR . 72.5 t -67.16 -29.1 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.628 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.67 -19.53 30.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.55 -64.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.124 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -64.02 -20.01 65.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.958 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 72.6 m -68.34 -50.74 51.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.675 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 76.7 t -59.42 -28.71 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.722 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.87 90.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.8 t -96.73 -36.58 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -42.43 -53.92 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.666 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 43.61 57.26 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -66.45 -76.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.66 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 85.7 t80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.588 -179.873 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.736 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -82.75 152.73 25.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.742 0.306 . . . . 0.0 110.585 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 55.2 mp0 -57.96 -23.14 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.464 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tt -76.74 -42.81 39.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.96 -51.91 67.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -65.69 -22.22 66.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.594 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.22 -46.46 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.367 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.5 mmm -69.9 -30.27 67.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.324 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -68.86 -26.54 65.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -78.31 -34.21 48.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.85 -49.46 58.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.16 -22.61 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.577 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -55.74 -40.86 73.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.1 t -84.05 -32.71 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.699 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -57.26 -58.84 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.725 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.534 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.7 p80 -62.41 -21.24 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.438 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -67.99 -49.05 63.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.666 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -77.4 -49.39 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.0 p -58.57 -27.85 65.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.503 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.93 -11.75 82.19 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -97.56 -51.35 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.624 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -139.4 154.27 47.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.514 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.39 -175.86 54.54 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' O ' ' A' ' 27' ' ' LYS . 94.0 m-20 -67.89 138.45 56.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 110.485 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -64.57 -44.43 90.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.35 -55.18 11.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' A' ' 24' ' ' ASP . 20.6 mmtm -104.7 146.15 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.563 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 tp -101.56 131.23 47.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.446 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -66.67 139.15 57.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.644 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -62.27 -23.51 66.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.464 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -56.38 -37.53 70.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.527 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -71.05 -36.65 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -49.8 -21.32 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.518 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -68.35 -63.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.4 -42.84 61.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.791 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 tp -44.3 -54.04 6.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.413 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -43.77 -65.66 0.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.765 -179.455 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.486 ' O ' ' OG ' ' A' ' 42' ' ' SER . 25.3 mt-30 -65.05 -50.82 64.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.93 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.9 m -44.72 -46.59 10.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -91.43 -50.54 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.219 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 37' ' ' LEU . 4.4 mp -103.93 99.87 9.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -120.49 40.76 3.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.867 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.71 -48.08 0.06 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -57.81 -21.68 43.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.638 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.436 ' C ' ' CD1' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -96.9 3.88 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 57.1 t0 -103.7 4.65 35.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -151.83 33.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.599 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.551 ' CD ' ' H ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -43.04 94.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' ALA . 21.1 tptp -60.0 -41.24 91.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.469 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -98.52 -141.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 52' ' ' ASP . 10.8 p -168.83 -46.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.435 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 85.9 m-20 -65.86 -37.79 87.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.614 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -33.53 67.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.6 t -69.12 -42.02 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.569 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -71.61 -20.15 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.373 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -57.35 -57.84 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -55.42 -34.02 33.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttm -65.51 -35.43 80.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.629 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.25 -38.54 91.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -50.72 -41.63 56.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.604 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 8.8 mp -65.41 -38.66 90.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -70.24 -31.43 68.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -59.96 -24.95 64.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.578 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -142.93 -72.54 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.06 0.41 69.96 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -151.39 72.23 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 0.0 110.526 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.34 -155.94 7.55 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.11 171.34 14.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.11 -162.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.475 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -144.44 175.89 9.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -58.03 -34.97 70.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.71 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -73.14 -39.05 66.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -78.49 -27.81 46.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -66.86 -40.18 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.333 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.1 m -71.67 -29.04 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.37 -53.56 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.402 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.85 -33.45 73.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.9 t -68.41 -38.58 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.24 -19.86 52.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.712 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.39 -54.21 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.71 -25.13 68.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -75.39 -49.73 18.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.97 -36.9 75.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.604 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.33 -35.23 62.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.687 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.0 -46.76 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.665 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -55.44 140.5 39.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.632 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -144.67 36.63 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.53 -48.97 79.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -82.76 152.7 25.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.484 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 55.5 mp0 -58.01 -23.08 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.497 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tt -76.75 -42.88 39.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.91 -51.92 67.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -65.77 -22.18 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.534 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.28 -46.3 69.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.431 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 77.6 mmm -70.06 -30.06 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.38 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -69.01 -26.48 65.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.687 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -78.28 -34.23 49.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.67 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.88 -49.52 57.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.755 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.06 -22.64 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.633 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -55.75 -40.86 73.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.663 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 83.1 t -84.09 -32.68 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -57.32 -58.87 6.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.537 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 3.8 p80 -62.49 -21.06 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.686 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.448 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -67.99 -49.07 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -77.4 -49.43 14.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.681 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.4 p -58.48 -27.81 64.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.02 -11.81 81.98 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -97.53 -51.27 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.712 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -139.37 154.32 47.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.41 -175.85 54.56 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.0 m-20 -67.91 138.51 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.395 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -64.65 -44.43 90.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.794 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.29 -55.23 11.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' B' ' 24' ' ' ASP . 20.5 mmtm -104.66 146.14 29.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.54 131.19 47.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.464 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -66.65 139.07 57.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.671 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -62.22 -23.48 66.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.439 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -56.35 -37.51 70.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.523 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -71.08 -36.79 72.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.474 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -49.62 -21.4 1.01 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -68.27 -63.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.749 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.45 -42.78 61.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.721 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 tp -44.37 -53.9 6.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' B' ' 41' ' ' LEU . 0.5 OUTLIER -43.89 -65.58 0.49 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.735 -179.485 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.489 ' O ' ' OG ' ' B' ' 42' ' ' SER . 25.3 mt-30 -65.04 -50.86 64.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.962 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 26.7 m -44.69 -46.63 10.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -91.53 -50.48 5.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.122 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' B' ' 37' ' ' LEU . 4.4 mp -103.96 99.91 9.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.842 0.353 . . . . 0.0 110.732 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 0.8 OUTLIER -120.54 40.86 3.4 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 179.83 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.81 -48.07 0.06 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -57.85 -21.69 44.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.624 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.437 ' C ' ' CD1' ' B' ' 45' ' ' LEU . 0.4 OUTLIER -96.8 3.88 52.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 57.2 t0 -103.68 4.57 35.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -151.77 33.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.567 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.554 ' H ' ' CD ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -43.11 94.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.465 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' B' ' 47' ' ' ALA . 21.2 tptp -60.14 -41.1 92.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.489 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -98.52 -141.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.544 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' B' ' 52' ' ' ASP . 10.7 p -168.83 -46.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.432 ' N ' ' CG1' ' B' ' 51' ' ' VAL . 85.8 m-20 -65.71 -37.97 87.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.65 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.07 -33.55 68.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.4 t -69.11 -41.99 81.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.613 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -71.55 -20.29 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.379 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -57.28 -57.9 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.459 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -55.53 -33.91 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttm -65.56 -35.37 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.675 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.26 -38.6 91.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -50.67 -41.68 55.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.582 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' B' ' 61' ' ' LEU . 8.8 mp -65.33 -38.68 90.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.465 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -70.2 -31.48 68.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.509 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -59.93 -24.99 64.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.472 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -142.94 -72.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.448 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.12 0.34 70.08 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -151.37 72.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.474 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.36 -155.94 7.55 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.1 171.31 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.543 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.07 -162.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -144.46 175.86 9.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.561 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -57.95 -35.02 70.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.753 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -73.08 -39.12 66.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -78.4 -27.8 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.432 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -66.81 -40.3 88.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.284 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 30.4 m -71.57 -29.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.59 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.3 -53.57 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.474 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.83 -33.47 73.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.404 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.37 -38.6 79.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.601 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.22 -19.81 53.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.52 -54.13 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.707 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.65 -25.15 67.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.526 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -75.41 -49.78 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.6 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.91 -36.94 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.554 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.37 -35.15 62.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.3 t -97.01 -46.88 6.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.678 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -55.31 140.48 39.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.627 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -144.61 36.57 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.46 -49.01 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.568 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -72.93 155.53 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.695 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.3 -24.91 68.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.468 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.436 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -79.74 -61.73 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -52.5 -44.15 65.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -69.24 -20.66 63.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.698 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.46 -37.23 70.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.747 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -83.87 -25.4 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.744 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.5 -25.29 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.716 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -78.38 -48.04 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.652 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.36 -46.54 82.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.644 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -60.01 -45.54 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.343 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.508 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 79.6 m-20 -60.33 -41.24 93.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.777 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.4 t -77.11 -29.59 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.721 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -57.84 -51.72 68.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.521 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.9 p80 -75.53 -19.56 59.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -30.77 68.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.35 -49.3 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.6 p -58.58 -36.8 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -61.56 -21.78 60.78 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 20' ' ' GLY . 44.7 tttt -58.63 -136.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.589 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' H ' ' CG ' ' A' ' 21' ' ' LYS . 65.7 mt-10 -105.28 133.6 49.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.576 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.09 -118.22 2.1 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -69.89 162.62 27.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.567 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -73.43 -63.6 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.571 ' OH ' ' CE2' ' B' ' 89' ' ' PHE . 3.8 m-85 -126.99 -4.94 6.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.627 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -91.65 168.97 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.652 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -131.4 126.13 34.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.415 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.4 p -60.55 155.72 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.57 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -83.76 -5.63 59.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -78.64 -34.9 46.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -70.51 -25.37 63.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -47.38 -21.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.343 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -76.03 -64.82 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.769 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.486 ' O ' ' OG1' ' A' ' 39' ' ' THR . 94.4 mt-10 -69.5 -29.81 67.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.91 -50.56 73.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.415 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 41' ' ' LEU . 93.2 mt -68.79 -46.58 68.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.966 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.72 -36.97 81.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.133 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 86.6 m -72.82 -40.43 65.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.956 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -85.02 -50.59 7.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.7 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.3 mp -99.57 96.61 7.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.831 0.348 . . . . 0.0 110.388 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.8 p -123.38 38.42 4.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.441 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.99 -39.26 0.2 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 62.4 m-85 -67.72 -51.84 44.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 110.452 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 45' ' ' LEU . 2.0 pp -58.34 -0.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.667 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.558 ' H ' ' C ' ' A' ' 44' ' ' PHE . 16.4 t70 -97.89 2.74 49.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.14 37.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.545 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -76.96 131.03 38.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -97.42 -78.8 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -50.9 153.17 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.643 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.2 -46.99 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.437 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -52.37 -48.58 65.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.74 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.0 84.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.618 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.61 -29.37 47.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.602 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -82.95 -20.28 35.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.428 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -53.87 -47.34 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.5 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 58' ' ' MET . 6.7 p -62.22 -40.23 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.441 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 64.0 mtt -72.49 -24.54 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.39 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -50.59 -37.02 37.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -62.19 -37.09 83.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.35 -34.74 55.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.42 -41.63 98.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.37 -44.29 79.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.485 ' N ' ' ND2' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -172.15 113.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.26 56.11 3.95 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.472 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 50.6 p30 -155.41 143.3 19.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.696 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.34 -148.88 18.79 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.536 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -144.58 173.32 11.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.753 0.311 . . . . 0.0 110.454 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.0 t -134.68 133.08 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.63 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.0 t0 -82.65 159.58 22.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.565 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 85.3 t80 -49.87 -51.47 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -59.16 -41.55 88.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.483 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -71.44 -18.44 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.343 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -83.84 -59.19 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.422 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.0 m -50.81 -44.19 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.968 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 77' ' ' LEU . 9.6 p -63.3 -42.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.855 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.459 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 3.6 tp -60.96 -38.84 87.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.516 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.491 ' O ' ' OG1' ' A' ' 82' ' ' THR . 75.6 t -62.12 -23.78 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.545 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.96 -19.43 30.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.744 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -64.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -62.86 -19.93 64.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.928 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 35.4 m -73.77 -43.4 59.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.496 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.2 t -66.41 -36.46 77.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -35.94 77.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.73 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.601 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 24.4 p -92.33 -29.6 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.745 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 85' ' ' CYS . 39.1 t30 -35.4 -83.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.597 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 85' ' ' CYS . 38.7 m-20 59.67 53.2 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.588 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -72.31 -76.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.548 ' CE2' ' OH ' ' B' ' 26' ' ' TYR . 67.1 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.75 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -73.05 155.53 39.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.61 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.27 -24.87 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.425 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 0.2 OUTLIER -79.65 -61.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.645 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -52.37 -44.26 65.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -69.17 -20.84 64.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.673 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.45 -37.15 69.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.729 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -83.97 -25.35 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.708 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.6 -25.2 67.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.677 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -78.39 -48.09 16.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.674 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.31 -46.52 83.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.738 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' B' ' 13' ' ' ASN . 0.2 OUTLIER -60.05 -45.53 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.321 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.505 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 79.1 m-20 -60.33 -41.33 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.753 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -76.96 -29.7 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.723 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -57.79 -51.81 68.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.705 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.521 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 4.8 p80 -75.55 -19.5 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.783 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -30.85 68.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.666 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.35 -49.23 5.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.707 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.6 p -58.63 -36.69 74.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.688 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' B' ' 21' ' ' LYS . . . -61.59 -21.89 60.97 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 20' ' ' GLY . 44.3 tttt -58.52 -136.38 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.801 0.334 . . . . 0.0 110.628 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.415 ' H ' ' CG ' ' B' ' 21' ' ' LYS . 65.5 mt-10 -105.29 133.53 49.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.13 -118.19 2.09 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -69.86 162.62 27.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 110.599 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -73.48 -63.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.712 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.548 ' OH ' ' CE2' ' A' ' 89' ' ' PHE . 3.7 m-85 -127.01 -4.95 6.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -91.64 168.93 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.569 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -131.41 126.05 34.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.375 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -60.49 155.72 17.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -83.84 -5.46 59.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -78.69 -34.94 45.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.508 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -70.5 -25.43 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.627 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -47.39 -21.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -75.92 -64.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.49 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.4 mt-10 -69.54 -29.71 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.98 -50.49 73.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' B' ' 41' ' ' LEU . 93.6 mt -68.91 -46.51 68.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.71 -37.02 81.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.143 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 86.1 m -72.75 -40.47 66.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.912 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -85.09 -50.37 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.714 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' B' ' 37' ' ' LEU . 5.3 mp -99.63 96.54 7.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.783 0.325 . . . . 0.0 110.343 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 53.9 p -123.43 38.43 4.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.344 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.03 -39.27 0.2 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.61 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 62.4 m-85 -67.66 -51.81 45.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.808 0.337 . . . . 0.0 110.482 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.467 ' C ' ' CD1' ' B' ' 45' ' ' LEU . 2.0 pp -58.5 -0.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' B' ' 44' ' ' PHE . 16.5 t70 -97.96 2.85 49.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.473 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.2 37.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -76.93 131.08 38.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -97.4 -78.89 0.47 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.637 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -50.93 153.11 1.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.1 -47.1 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.441 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -52.33 -48.6 65.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.778 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.99 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.71 -29.4 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -82.93 -20.27 35.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.384 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -53.85 -47.4 71.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.461 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' B' ' 58' ' ' MET . 6.9 p -62.21 -40.22 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.445 ' N ' ' CG1' ' B' ' 57' ' ' VAL . 64.0 mtt -72.42 -24.59 61.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.466 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -50.52 -37.1 37.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.568 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -62.02 -37.12 83.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.508 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 45.6 mt -77.33 -34.77 55.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.49 -41.55 98.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -67.35 -44.25 79.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.647 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.484 ' ND2' ' N ' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -172.21 113.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.2 56.04 3.97 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.486 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 50.6 p30 -155.35 143.36 20.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.25 -148.94 18.79 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 0.1 OUTLIER -144.51 173.35 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.745 0.307 . . . . 0.0 110.505 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.1 t -134.76 133.15 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 47.9 t0 -82.67 159.64 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.484 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.536 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 85.7 t80 -49.93 -51.57 40.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.481 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -59.08 -41.61 88.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -71.31 -18.58 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.356 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -83.65 -59.31 2.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.423 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.9 m -50.75 -44.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.975 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' B' ' 77' ' ' LEU . 9.5 p -63.42 -42.77 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.793 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.457 ' N ' ' CG1' ' B' ' 76' ' ' VAL . 3.6 tp -60.9 -38.82 87.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.622 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.478 ' O ' ' OG1' ' B' ' 82' ' ' THR . 75.6 t -62.18 -23.84 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.81 -19.47 30.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.784 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.05 -64.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -62.89 -20.04 64.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.883 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 34.7 m -73.7 -43.39 59.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.44 -36.4 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.629 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.81 77.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.741 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.61 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 24.5 p -92.31 -29.6 16.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.826 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' B' ' 85' ' ' CYS . 39.0 t30 -35.33 -83.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 85' ' ' CYS . 39.2 m-20 59.74 53.14 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -72.21 -76.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.571 ' CE2' ' OH ' ' A' ' 26' ' ' TYR . 67.0 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.36 161.23 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.33 -35.07 76.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.9 tp -74.34 -36.07 63.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.99 -44.73 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.67 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 t -78.63 -20.85 49.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.658 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.58 -43.58 68.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.4 mmm -74.28 -31.6 62.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.21 -28.8 70.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.0 m -73.12 -34.36 66.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.645 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.05 -57.33 6.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 tt -57.76 -30.48 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.676 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -56.01 -38.06 69.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.498 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.9 t -81.31 -40.35 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.635 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -59.38 -59.09 6.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.528 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -55.67 -29.75 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.501 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.93 85.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -94.38 -22.94 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.609 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 p -61.82 -29.39 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.664 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.59 -146.96 0.12 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt 57.91 -144.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.476 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -83.89 161.93 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.13 -170.24 41.0 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.48 140.13 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.502 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -85.36 -19.68 31.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.628 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -100.54 -43.28 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.651 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -91.6 160.36 15.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -134.01 142.91 47.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.43 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -65.19 160.94 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.499 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' NZ ' ' ND2' ' A' ' 64' ' ' ASN . 33.0 ttmt -90.26 -30.02 17.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.635 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -58.07 -42.68 86.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.607 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -60.07 -32.65 71.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 tp -49.58 -52.45 30.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -61.2 -25.55 67.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' A' ' 39' ' ' THR . 79.5 mm-40 -83.87 -49.06 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.216 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -73.86 -26.85 60.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.129 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.65 -64.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.372 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.481 ' O ' ' OG ' ' A' ' 42' ' ' SER . 50.3 mt-30 -64.38 -52.63 57.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.696 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 9.5 m -46.23 -49.04 17.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.619 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.19 -37.94 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.568 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.84 -80.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.754 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 4.1 m 51.09 42.41 28.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.535 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.05 -45.03 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -60.2 -32.0 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.782 0.325 . . . . 0.0 110.726 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.496 ' CD2' ' H ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.67 -26.99 50.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.349 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -77.86 1.88 19.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.493 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.66 46.13 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.14 162.69 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -138.07 -77.76 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -49.36 135.21 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.644 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -93.96 -52.25 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.483 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 24.7 p-10 -53.47 -54.82 31.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.671 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.12 -42.91 66.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.711 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.95 -27.26 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -71.58 -34.6 70.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.755 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.73 -61.89 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.457 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -50.15 -38.74 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.643 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.6 mtt -69.94 -37.18 75.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.513 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -58.32 -36.85 74.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.562 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 70.0 mm-40 -55.73 -38.57 69.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.465 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' GLY . 40.1 mt -71.04 -38.06 72.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.355 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.15 -39.4 93.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.67 -37.28 85.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.586 ' ND2' ' NZ ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -157.37 72.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.773 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -59.19 -39.03 93.99 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.12 131.64 40.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.71 -175.96 32.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -121.81 158.16 29.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.719 0.295 . . . . 0.0 110.596 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.9 156.07 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.554 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -97.66 -173.63 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.494 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' O ' ' N ' ' A' ' 74' ' ' TYR . 50.9 t80 -52.92 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' VAL . 34.1 mt-30 -38.62 -63.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.756 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -47.68 -24.47 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.397 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.555 ' N ' ' O ' ' A' ' 71' ' ' PHE . 2.5 t80 -99.94 -18.52 17.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -78.16 -36.92 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.581 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 77' ' ' LEU . 10.7 p -81.54 -42.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.428 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 0.2 OUTLIER -49.64 -50.2 44.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.524 -179.816 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.11 -27.58 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.92 -19.45 30.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.99 -65.12 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.229 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.423 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.8 pt? -61.25 -20.09 62.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.892 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -69.3 -50.16 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.696 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.98 -32.39 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.06 -19.13 60.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.814 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 m -127.55 28.34 5.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.742 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -68.08 -58.76 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.53 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.4 t30 55.42 47.95 20.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -96.39 -77.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.4 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.611 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.51 161.21 23.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.21 -35.12 76.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 50.0 tp -74.36 -36.07 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.0 -44.64 92.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.743 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.3 t -78.67 -20.8 49.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.647 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.58 -43.59 68.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.4 mmm -74.38 -31.53 62.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.504 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.32 -28.75 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.625 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.7 m -73.11 -34.48 66.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 mt -68.03 -57.28 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.658 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 tt -57.79 -30.56 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -55.91 -38.12 69.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.9 t -81.34 -40.19 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.751 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -59.48 -59.0 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -55.66 -29.82 59.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.0 86.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.518 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -94.36 -22.86 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.655 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.4 p -61.84 -29.35 70.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.64 -146.89 0.12 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt 57.88 -144.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.613 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -83.98 161.91 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.24 -170.25 40.81 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.51 140.06 58.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.804 0.335 . . . . 0.0 110.566 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -85.32 -19.72 31.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -100.4 -43.33 6.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.73 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -91.58 160.29 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.702 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -133.92 142.92 47.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.512 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -65.16 161.02 19.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.585 ' NZ ' ' ND2' ' B' ' 64' ' ' ASN . 33.0 ttmt -90.31 -29.91 17.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -58.18 -42.67 86.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -60.1 -32.59 71.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.506 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 tp -49.62 -52.44 30.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -61.2 -25.55 67.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' B' ' 39' ' ' THR . 79.6 mm-40 -83.83 -49.14 9.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -73.85 -26.75 60.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.119 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.61 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.352 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.482 ' O ' ' OG ' ' B' ' 42' ' ' SER . 50.3 mt-30 -64.36 -52.59 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.74 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 9.4 m -46.2 -49.11 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.14 -37.94 57.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.4 mt -95.9 -80.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.689 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 4.1 m 51.07 42.42 28.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.554 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.13 -44.96 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -60.17 -32.14 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 110.702 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.508 ' H ' ' CD2' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -77.62 -26.91 50.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.383 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -77.91 1.85 19.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.61 46.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.09 162.64 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -137.96 -77.63 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.645 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -49.52 135.35 18.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.606 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -93.94 -52.35 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.467 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' B' ' 52' ' ' ASP . 24.8 p-10 -53.4 -54.92 29.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.05 -42.96 66.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.692 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.7 t -67.97 -27.17 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.598 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -71.51 -34.7 70.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.749 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.67 -61.85 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.51 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -50.25 -38.79 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.603 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 48.5 mtt -69.91 -37.15 75.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -58.29 -36.91 74.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.625 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.559 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 70.1 mm-40 -55.61 -38.63 69.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.508 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' B' ' 65' ' ' GLY . 39.9 mt -71.01 -38.02 72.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.398 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.2 -39.36 93.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.76 -37.16 85.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.681 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.585 ' ND2' ' NZ ' ' B' ' 30' ' ' LYS . 0.1 OUTLIER -157.37 72.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.727 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -59.25 -38.99 94.02 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.09 131.7 40.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.497 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.6 -176.01 32.52 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -121.85 158.18 29.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.789 0.328 . . . . 0.0 110.502 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.94 156.1 25.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -97.71 -173.64 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.55 ' O ' ' N ' ' B' ' 74' ' ' TYR . 50.6 t80 -52.9 -73.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' B' ' 75' ' ' VAL . 34.0 mt-30 -38.49 -63.08 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -47.78 -24.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.55 ' N ' ' O ' ' B' ' 71' ' ' PHE . 2.5 t80 -99.93 -18.57 17.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -78.13 -37.02 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.481 -179.569 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' B' ' 77' ' ' LEU . 10.7 p -81.41 -42.83 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.434 ' N ' ' CG1' ' B' ' 76' ' ' VAL . 0.2 OUTLIER -49.78 -50.07 46.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.552 -179.795 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.15 -27.72 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.68 -19.52 30.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.12 -64.88 0.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.221 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.422 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.8 pt? -61.35 -20.21 62.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.871 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -69.21 -50.13 50.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.705 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.03 -32.44 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.04 -19.08 60.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.803 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 m -127.64 28.4 5.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.745 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -68.02 -58.78 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.605 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.5 t30 55.37 47.93 20.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -96.26 -77.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.701 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.5 t80 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.615 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.7 OUTLIER 84.24 125.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 110.637 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -57.99 -34.96 70.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.65 -35.42 76.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.4 -50.47 73.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.677 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.39 -21.23 39.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.725 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.76 -41.33 43.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.469 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.4 mmm -74.66 -30.58 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.596 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.74 -29.42 70.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.0 m -75.04 -34.66 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.05 -56.05 13.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.721 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 tt -61.55 -23.1 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -56.53 -37.77 70.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.699 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.5 t -85.3 -29.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.66 -61.91 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.734 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.516 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.7 p80 -58.18 -20.56 42.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -70.05 -50.61 39.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.673 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -79.85 -38.11 33.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -57.38 -31.38 65.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.37 35.94 4.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 22' ' ' GLU . 80.0 tttt -146.08 115.56 7.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.624 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 21' ' ' LYS . 97.4 mt-10 46.11 100.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.571 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.6 -142.44 13.74 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.59 -178.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 0.0 110.641 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -106.08 -20.92 13.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.729 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -143.52 12.96 1.74 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.811 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -128.75 132.88 47.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.341 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.5 tp -97.18 132.54 42.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.592 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.7 p -74.97 165.68 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.554 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.481 ' HZ2' ' H ' ' A' ' 65' ' ' GLY . 9.8 mtmp? -90.28 -5.59 56.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.638 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -81.18 -23.43 38.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.414 ' C ' ' N ' ' A' ' 34' ' ' LYS . 83.7 mt-30 -82.87 -39.5 21.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.1 mt -45.74 -21.62 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 32' ' ' GLN . 22.1 mtpp -63.1 -61.06 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.801 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.6 -40.69 17.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.728 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -44.35 -53.93 6.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.336 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.54 -65.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 0.0 110.96 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -57.68 -55.5 34.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.011 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.9 m -42.61 -49.68 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -73.77 -46.59 44.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.9 mt -78.52 -87.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.627 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' ' OG ' ' A' ' 42' ' ' SER . 1.4 p 62.83 37.49 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.462 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.72 -46.77 0.03 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -65.84 -39.01 90.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.749 0.309 . . . . 0.0 110.621 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.77 -14.1 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.56 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -83.65 7.84 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.73 70.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.635 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -93.82 111.73 23.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.627 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -83.47 -62.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -67.4 179.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 52' ' ' ASP . 7.7 p -139.35 -45.84 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 4.0 p30 -61.77 -41.43 97.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.653 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.28 62.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.574 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.74 -29.41 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 39.1 t0 -82.87 -20.31 35.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.427 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -54.74 -54.04 47.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.412 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 58' ' ' MET . 9.8 p -58.74 -41.79 83.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.458 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 63.3 mtt -66.22 -39.37 89.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -59.35 -34.52 72.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -51.34 -40.16 58.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 9.6 mp -70.33 -40.15 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.66 -40.41 75.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.597 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.73 -9.85 40.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.46 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -139.04 -91.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.481 ' H ' ' HZ2' ' A' ' 30' ' ' LYS . . . 94.35 6.07 61.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -177.09 112.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.614 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.48 -155.48 25.04 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -135.4 165.56 25.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.791 0.329 . . . . 0.0 110.49 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 m -139.33 155.95 26.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -97.17 174.68 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.36 -43.45 96.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.0 -34.05 75.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -81.02 -24.61 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.63 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -73.72 -38.71 64.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.483 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.11 -33.36 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.319 . . . . 0.0 110.806 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.54 -51.55 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.699 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.74 -49.99 75.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.437 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.455 ' O ' ' OG1' ' A' ' 82' ' ' THR . 74.9 t -52.37 -35.8 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.662 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -20.45 29.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.731 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.33 -64.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.167 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -64.15 -20.19 65.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.973 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 58.7 m -66.95 -53.74 28.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.31 -38.38 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.61 92.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 81.1 m -94.69 10.97 32.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -89.76 111.13 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -100.26 49.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -67.73 -47.9 68.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 80.2 t80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . 0.538 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 0.7 OUTLIER 84.36 125.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.57 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.11 -34.9 70.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.462 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.71 -35.39 76.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.436 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.42 -50.45 73.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.35 -21.35 39.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.729 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.79 -41.24 44.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.432 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.5 mmm -74.59 -30.73 61.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.581 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.76 -29.4 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.1 m -74.98 -34.79 62.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.03 -56.04 13.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.801 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 tt -61.36 -23.29 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.664 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -56.5 -37.76 70.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.5 t -85.33 -29.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.64 -61.92 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.784 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.524 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 4.8 p80 -58.12 -20.62 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.417 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -69.94 -50.65 39.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.689 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -79.85 -38.12 33.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.747 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -57.39 -31.41 65.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.4 36.06 4.0 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' B' ' 22' ' ' GLU . 80.0 tttt -146.08 115.45 7.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.65 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' B' ' 21' ' ' LYS . 97.4 mt-10 46.13 100.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.628 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.56 -142.49 13.79 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.53 -178.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.629 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -106.12 -20.92 13.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -143.46 12.89 1.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -128.69 132.85 48.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.457 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 35.3 tp -97.14 132.54 42.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 96.3 p -74.98 165.78 24.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.507 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.492 ' HZ2' ' H ' ' B' ' 65' ' ' GLY . 9.8 mtmp? -90.47 -5.54 55.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -81.18 -23.36 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' B' ' 34' ' ' LYS . 83.6 mt-30 -82.97 -39.48 21.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.61 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.1 mt -45.81 -21.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.451 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' B' ' 32' ' ' GLN . 22.1 mtpp -63.27 -60.88 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.69 -40.54 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.753 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -44.44 -53.99 6.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.354 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.47 -65.7 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.985 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -57.84 -55.33 36.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.003 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 40.6 m -42.72 -49.56 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -73.8 -46.6 44.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.802 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 79.4 mt -78.53 -87.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' B' ' 42' ' ' SER . 1.4 p 62.68 37.53 12.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.481 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.68 -46.96 0.03 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -65.78 -38.94 90.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.69 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.79 -14.09 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -83.71 7.83 16.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.71 70.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -93.78 111.77 23.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -83.57 -62.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -67.44 179.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.529 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -139.32 -45.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.615 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.63 -41.48 97.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.635 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.3 -31.21 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.74 -29.38 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 39.1 t0 -82.85 -20.38 35.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -54.68 -54.04 46.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.438 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' B' ' 58' ' ' MET . 9.8 p -58.76 -41.75 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.712 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.456 ' N ' ' CG1' ' B' ' 57' ' ' VAL . 63.4 mtt -66.34 -39.36 89.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.563 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.29 -34.62 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.481 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -51.33 -40.03 58.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.451 ' N ' ' CD1' ' B' ' 61' ' ' LEU . 9.6 mp -70.52 -40.02 73.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.634 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.72 -40.45 75.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.508 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.64 -9.97 41.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.486 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -138.9 -91.65 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.492 ' H ' ' HZ2' ' B' ' 30' ' ' LYS . . . 94.33 6.06 61.6 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -176.99 112.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.45 -155.41 24.93 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -135.5 165.56 25.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 110.448 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 m -139.35 155.99 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -97.27 174.57 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.583 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -60.28 -43.47 96.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.685 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.01 -34.03 75.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -81.08 -24.59 37.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.594 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -73.69 -38.81 64.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.436 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -71.02 -33.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.759 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.52 -51.72 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.649 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.6 -50.01 75.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.474 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.453 ' O ' ' OG1' ' B' ' 82' ' ' THR . 74.7 t -52.32 -35.86 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.74 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.79 -20.57 29.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.24 -64.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -64.37 -20.09 65.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.978 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 58.9 m -66.92 -53.67 29.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.583 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.39 -38.38 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.63 93.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.498 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 80.6 m -94.71 11.03 32.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -89.86 111.05 21.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.66 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -100.2 49.63 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.538 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -67.86 -47.74 68.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.583 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 80.3 t80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 m -75.35 156.76 35.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.511 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -63.12 -26.63 68.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.13 -27.7 55.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.15 -56.11 19.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.732 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 t -78.94 -20.83 48.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.678 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.31 -45.97 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.48 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mmm -72.67 -30.18 64.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.568 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.08 -28.4 69.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.621 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.4 m -73.37 -30.99 63.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.09 -55.27 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.763 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.6 tt -63.01 -25.92 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -55.76 -37.98 69.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.29 -27.52 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.699 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CZ ' ' O ' ' A' ' 70' ' ' ASP . 55.8 t80 -64.96 -62.1 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.725 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.518 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.2 p80 -59.46 -23.69 62.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.453 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -68.08 -38.16 82.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.706 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -89.62 -30.57 18.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.756 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 21' ' ' LYS . 7.8 p -70.17 -20.68 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.22 16.4 4.71 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 19' ' ' SER . 24.5 mtpp -100.28 173.9 6.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.853 0.359 . . . . 0.0 110.569 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.35 146.14 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.678 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.84 -115.22 2.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -72.6 -28.55 62.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 26' ' ' TYR . 7.7 mtpp 63.63 7.95 3.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.566 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.427 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 82.2 m-85 -154.96 -38.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.582 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -102.04 154.55 18.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.6 tp -104.07 133.38 49.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.46 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 t -61.27 -138.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -140.85 -47.38 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' O ' ' OE1' ' A' ' 35' ' ' GLU . 47.2 mtmt -66.96 -22.73 65.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.507 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -70.43 -27.6 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.794 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.07 -48.24 81.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.768 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -50.7 -25.27 4.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.577 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 10.6 mp0 -83.32 -57.36 3.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.108 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.96 -28.85 68.62 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.903 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mt -54.51 -51.95 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.136 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -72.25 -44.66 62.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.11 -43.99 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -72.7 -39.17 67.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 42' ' ' SER . 89.0 mt -90.57 -101.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.525 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 1.1 t 79.05 41.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.42 -55.91 0.02 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.639 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 56.0 m-85 -62.77 -41.98 99.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.633 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.479 ' CD2' ' H ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -67.89 -37.33 81.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.263 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -62.11 -13.68 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.0 65.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.06 134.92 41.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.568 ' NZ ' ' O ' ' A' ' 85' ' ' CYS . 13.1 pttm -101.29 -43.64 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.657 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -72.86 149.71 43.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.16 -59.34 3.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.462 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.79 -43.6 63.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.97 86.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.714 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.99 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.647 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.84 -20.3 35.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.395 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -58.7 -47.84 83.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.429 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.21 -33.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.0 mmm -68.01 -28.98 67.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.55 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -53.7 -35.15 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.611 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 64' ' ' ASN . 86.2 mt-10 -53.1 -39.16 63.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.629 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 mt -62.48 -41.16 98.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -72.24 -46.31 56.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.437 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -74.33 -57.28 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.529 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 60' ' ' GLU . 32.9 m-80 -93.11 -117.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.48 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.19 12.62 83.02 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -147.02 71.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.513 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.78 -160.53 25.49 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -145.77 172.8 12.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.557 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.4 m -134.26 159.93 41.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.519 ' O ' ' CZ ' ' A' ' 15' ' ' PHE . 86.4 m-20 -93.41 -68.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.615 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -166.0 -42.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.679 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -64.39 -47.86 77.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.783 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.34 -19.67 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -76.07 -57.89 3.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.339 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 m -52.04 -25.95 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.665 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.79 -45.11 99.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.636 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 7.6 mp -67.41 -46.67 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.498 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.478 ' O ' ' OG1' ' A' ' 82' ' ' THR . 98.7 t -53.3 -34.59 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.732 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.63 -19.34 31.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.751 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.77 -64.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.423 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.47 -20.02 65.23 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.896 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 54.4 m -71.45 -43.68 66.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.517 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.35 -33.99 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.738 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.02 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.709 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.639 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 23.6 p -93.17 -43.15 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.674 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.523 ' ND2' ' CE1' ' A' ' 88' ' ' PHE . 9.1 t-20 -39.55 116.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.703 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 89' ' ' PHE . 62.1 t30 -97.89 -72.18 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.514 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.523 ' CE1' ' ND2' ' A' ' 86' ' ' ASN . 20.0 m-85 53.42 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.62 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 46.1 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.64 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -75.37 156.77 35.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.491 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -63.12 -26.62 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.18 -27.65 55.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.22 -56.05 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.781 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -78.95 -20.84 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.656 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.32 -45.97 65.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mmm -72.63 -30.15 64.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.54 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -65.21 -28.43 69.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.1 m -73.29 -30.95 63.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.702 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.18 -55.17 13.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 tt -63.12 -25.93 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.758 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -55.76 -37.97 69.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.26 -27.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.685 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' B' ' 70' ' ' ASP . 55.4 t80 -64.91 -62.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.53 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 4.3 p80 -59.39 -23.75 62.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.652 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.457 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -68.1 -38.05 81.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.768 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -89.63 -30.62 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.439 ' C ' ' H ' ' B' ' 21' ' ' LYS . 7.8 p -70.1 -20.75 63.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.711 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.21 16.39 4.71 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' B' ' 19' ' ' SER . 24.6 mtpp -100.34 173.81 6.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 110.6 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.31 146.21 19.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.648 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.82 -115.28 2.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -72.58 -28.47 62.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 0.0 110.534 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' B' ' 26' ' ' TYR . 7.7 mtpp 63.68 7.89 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.437 ' CG ' ' O ' ' B' ' 25' ' ' LYS . 82.1 m-85 -154.97 -38.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -102.09 154.39 19.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 46.6 tp -103.91 133.43 48.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.5 t -61.36 -138.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -140.73 -47.4 0.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.517 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.486 ' O ' ' OE1' ' B' ' 35' ' ' GLU . 47.1 mtmt -66.82 -22.89 65.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.553 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -70.39 -27.55 64.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.13 -48.22 81.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.712 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -50.59 -25.38 4.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.587 ' N ' ' OE1' ' B' ' 35' ' ' GLU . 10.6 mp0 -83.22 -57.4 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.94 -28.75 68.54 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.95 -179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -54.7 -51.8 64.41 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.117 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -72.31 -44.65 62.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.12 -43.91 91.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.73 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -72.83 -39.15 66.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' B' ' 42' ' ' SER . 88.9 mt -90.53 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.466 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 1.0 OUTLIER 79.07 41.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.547 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.38 -55.84 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.643 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 56.0 m-85 -62.82 -41.99 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.699 0.285 . . . . 0.0 110.661 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.482 ' H ' ' CD2' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -67.9 -37.24 81.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.303 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -62.05 -13.83 30.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.9 65.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.708 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.07 134.9 41.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.466 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.571 ' NZ ' ' O ' ' B' ' 85' ' ' CYS . 13.1 pttm -101.35 -43.66 5.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.584 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -72.83 149.75 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.518 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.17 -59.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.83 -43.51 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.698 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.99 86.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.651 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.01 -31.41 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.88 -20.26 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.364 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -58.66 -47.96 82.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.368 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.23 -33.06 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mmm -68.1 -28.88 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.604 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -53.8 -35.17 61.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' B' ' 64' ' ' ASN . 86.3 mt-10 -52.99 -39.2 62.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.647 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.45 -41.28 98.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -72.2 -46.26 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.445 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -74.36 -57.2 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.556 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' B' ' 60' ' ' GLU . 32.6 m-80 -93.18 -117.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.47 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.13 12.61 83.08 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -147.06 71.58 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.878 0.371 . . . . 0.0 110.47 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.8 -160.57 25.58 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -145.8 172.76 12.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.585 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.1 m -134.24 159.91 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.517 ' O ' ' CZ ' ' B' ' 15' ' ' PHE . 86.2 m-20 -93.44 -68.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -165.92 -42.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.625 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -64.44 -47.85 77.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.717 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.25 -19.74 64.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -76.13 -57.77 3.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.415 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 m -52.01 -26.11 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.74 -45.06 99.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.625 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.445 ' N ' ' CD1' ' B' ' 77' ' ' LEU . 7.6 mp -67.36 -46.64 72.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.484 ' O ' ' OG1' ' B' ' 82' ' ' THR . 98.8 t -53.35 -34.64 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.693 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.5 -19.49 31.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.751 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.78 -64.7 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.28 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.56 -20.07 65.34 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.94 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 53.3 m -71.29 -43.79 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.471 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.46 -33.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.591 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.04 75.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.71 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.643 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 23.4 p -93.12 -43.19 8.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.685 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.529 ' ND2' ' CE1' ' B' ' 88' ' ' PHE . 9.1 t-20 -39.54 116.37 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.648 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' B' ' 89' ' ' PHE . 61.9 t30 -97.92 -72.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.529 ' CE1' ' ND2' ' B' ' 86' ' ' ASN . 20.0 m-85 53.19 -80.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.768 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.578 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 46.2 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.718 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -81.76 162.11 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.5 mp0 -59.4 -29.19 67.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.9 tp -68.69 -33.79 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.29 -43.72 97.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.776 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 t -84.09 -20.99 31.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.623 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.88 -41.49 33.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.4 mmm -70.13 -34.79 73.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.59 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.27 -23.3 66.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.602 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.4 m -73.54 -35.13 65.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.669 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 mt -76.51 -44.67 34.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.431 HG21 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -63.58 -39.25 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.365 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.427 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 53.2 t-20 -56.8 -54.94 40.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.03 -32.92 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.721 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -51.37 -52.37 46.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.653 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.509 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 5.1 p80 -74.64 -23.57 58.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.707 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.482 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -65.66 -29.81 70.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.692 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -89.98 -49.21 6.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.811 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.7 t -60.46 -14.4 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.667 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.11 -58.44 2.33 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -60.37 -51.72 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.675 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -139.73 173.05 11.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.624 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.85 -169.44 40.55 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.91 169.35 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -59.52 -65.41 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -104.43 -31.37 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.728 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -82.98 176.99 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.576 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -142.48 133.24 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -84.42 173.69 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.687 -179.818 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' N ' ' OG ' ' A' ' 29' ' ' SER . 57.2 mttm -82.0 -37.56 26.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.665 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -52.58 -38.79 60.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -72.01 -37.34 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.23 -59.33 5.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.668 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -47.68 -25.35 1.17 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.704 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -83.77 -57.38 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.313 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.35 -28.74 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.154 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.37 -52.52 64.27 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.451 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' SER . 85.1 mt-30 -65.82 -38.26 88.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.7 m -65.97 -48.1 72.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.57 -49.21 56.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.797 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.3 mt -76.07 -61.46 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.721 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.6 p 39.52 36.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.577 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.99 -62.89 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -49.35 -44.01 44.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.649 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.25 -26.97 66.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.453 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -78.96 4.07 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.8 -77.28 0.59 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.52 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 52.55 58.05 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -52.51 -42.82 64.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.657 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.73 179.98 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p -138.29 -41.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -63.42 -58.04 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.23 -39.81 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.579 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.49 -30.54 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.418 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -67.12 -44.02 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.696 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -53.92 -64.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.504 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 p -49.49 -40.01 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.607 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.0 ttp -71.42 -35.44 70.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.88 -27.82 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.745 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -49.02 -37.93 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.645 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.69 -42.64 84.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.17 -40.84 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.524 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.0 -28.9 70.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -128.81 -92.18 0.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.497 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.67 14.27 42.63 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -157.34 47.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 110.546 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.63 155.61 26.65 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 mp0 -92.31 161.33 14.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -131.09 149.98 34.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -95.19 171.22 8.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.589 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -49.51 -42.8 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.678 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.87 -46.05 83.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.783 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.76 -18.65 63.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.935 0.398 . . . . 0.0 110.245 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -82.18 -63.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.459 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.7 m -45.22 -47.93 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.721 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.8 p -63.39 -30.04 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.526 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -46.69 87.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.446 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.36 -33.83 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.617 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.1 -19.56 45.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.31 -63.13 1.47 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.942 0.401 . . . . 0.0 110.187 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -54.54 -23.77 17.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.828 179.73 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.3 m -75.27 -48.45 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.625 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.5 t -64.46 -28.74 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.04 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 99.1 m -93.69 -42.23 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.571 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -77.27 96.9 4.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.773 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.477 ' N ' HD21 ' A' ' 87' ' ' ASN . 1.1 m-80 -103.08 97.82 7.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.426 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 6.5 t80 -80.25 -18.81 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 31.0 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.529 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -81.79 162.14 23.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.572 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 52.4 mp0 -59.32 -29.33 67.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.593 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 42.9 tp -68.59 -33.81 74.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.748 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.24 -43.81 97.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -83.93 -21.07 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.683 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.93 -41.48 33.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.554 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 73.3 mmm -70.09 -34.85 73.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.608 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.29 -23.21 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.9 m -73.53 -35.3 65.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.37 -44.73 35.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.731 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.417 HG21 HD12 ' B' ' 12' ' ' ILE . 0.2 OUTLIER -63.67 -39.21 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.289 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.421 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 53.2 t-20 -56.71 -55.07 38.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.811 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.98 -32.93 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.769 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -51.39 -52.23 47.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.665 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.516 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 5.1 p80 -74.75 -23.56 58.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.485 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -65.72 -29.65 70.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.759 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -90.05 -49.31 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.726 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -60.42 -14.43 18.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.663 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.14 -58.33 2.34 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -60.43 -51.65 68.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 110.668 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -139.77 173.11 11.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.654 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.81 -169.51 40.72 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.83 169.3 3.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.582 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -59.54 -65.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.718 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -104.33 -31.33 9.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -83.01 177.04 8.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -142.52 133.15 25.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.422 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' B' ' 30' ' ' LYS . 0.3 OUTLIER -84.42 173.64 10.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.787 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.47 ' N ' ' OG ' ' B' ' 29' ' ' SER . 57.2 mttm -81.93 -37.55 26.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.67 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -52.66 -38.61 60.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.653 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -72.19 -37.23 69.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.771 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.24 -59.43 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.649 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -47.5 -25.48 1.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.719 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -83.74 -57.4 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.281 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.33 -28.84 68.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.169 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.19 -52.59 63.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.358 . . . . 0.0 110.432 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' B' ' 42' ' ' SER . 85.2 mt-30 -65.94 -38.19 88.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.699 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.5 m -66.1 -48.11 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.78 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -69.47 -49.3 56.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' B' ' 42' ' ' SER . 75.0 mt -76.0 -61.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.754 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.435 ' N ' ' O ' ' B' ' 38' ' ' GLN . 2.6 p 39.52 36.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.95 -62.83 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -49.3 -44.06 43.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.6 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.15 -27.17 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -78.85 4.13 14.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.622 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.82 -77.34 0.59 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.482 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 52.46 58.12 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.614 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -52.61 -42.78 64.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.88 179.94 6.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p -138.21 -41.89 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.499 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -63.49 -58.04 8.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.496 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.84 70.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.1 t -65.33 -30.55 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.485 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -67.12 -44.13 80.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -53.81 -64.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.512 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 p -49.46 -40.04 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.591 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 6.0 ttp -71.22 -35.65 71.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.77 -27.85 67.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.756 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -49.02 -37.95 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.666 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 69.5 mt -57.67 -42.73 84.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.488 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -68.14 -40.85 82.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.01 -28.91 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.526 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -128.82 -92.11 0.47 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.437 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.55 14.48 42.77 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -157.5 47.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.58 155.62 26.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.5 mp0 -92.32 161.36 14.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.751 0.31 . . . . 0.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.8 m -131.1 149.98 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -95.19 171.27 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.505 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -49.52 -42.86 44.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.676 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.8 -46.03 83.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.81 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.81 -18.76 63.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.228 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -82.03 -63.95 1.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.571 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.7 m -45.22 -47.95 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.697 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 6.8 p -63.37 -29.97 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.606 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -46.55 88.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.472 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.46 -33.75 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.644 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.08 -19.71 46.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.612 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.15 -63.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' B' ' 81' ' ' LEU . 0.0 OUTLIER -54.58 -23.71 18.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.866 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.6 m -75.32 -48.39 23.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.663 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.51 -28.7 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.02 72.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 98.9 m -93.65 -42.17 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -77.32 96.93 4.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.677 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.478 ' N ' HD21 ' B' ' 87' ' ' ASN . 1.1 m-80 -103.06 97.73 7.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.483 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.475 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 6.6 t80 -80.23 -18.71 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.529 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.475 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 31.0 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -146.32 167.9 22.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.47 -27.93 67.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tt -76.15 -46.22 29.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.488 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -57.93 -48.66 79.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.783 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -69.72 -20.86 63.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.609 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.37 -44.59 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.4 mmm -73.6 -30.51 63.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.556 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 78.0 mm-40 -65.76 -20.84 66.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.729 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -82.82 -32.42 27.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.708 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mt -67.55 -46.47 72.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.764 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 tt -66.57 -27.61 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 4.2 m120 -59.36 -39.05 82.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.671 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.504 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 93.2 t -83.56 -27.71 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.702 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -66.24 -62.16 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.542 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.3 p80 -61.43 -12.72 15.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.784 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.84 -54.75 42.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.78 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 2.2 p80 -87.19 -40.73 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.653 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -55.0 -31.69 61.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.7 -53.02 26.13 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -62.63 -75.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -126.17 121.69 33.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.461 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.56 -164.4 36.24 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 26' ' ' TYR . 66.3 m-20 -90.25 13.69 14.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.503 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp 57.16 -75.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.538 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' A' ' 24' ' ' ASP . 88.8 m-85 -63.1 -27.15 69.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.497 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -142.41 -172.89 3.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.442 ' CD1' ' HD1' ' A' ' 18' ' ' HIS . 3.4 tp -139.96 151.28 45.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.522 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -74.76 160.79 30.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -83.12 -22.59 33.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.598 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -56.23 -41.06 75.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -74.39 -29.04 61.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.684 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tp -46.01 -35.83 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.65 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.04 -65.95 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' ' OG1' ' A' ' 39' ' ' THR . 55.3 mp0 -66.41 -42.37 87.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.62 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -47.92 -36.65 12.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.293 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.65 -65.26 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.659 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -64.09 -51.91 61.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 25.7 m -40.73 -45.25 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.788 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.17 -47.09 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' A' ' 42' ' ' SER . 88.1 mt -74.74 -99.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.545 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 1.5 t 74.16 37.39 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.634 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.38 -44.38 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.547 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 58.2 m-85 -69.81 -27.78 65.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.585 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.476 ' CD2' ' H ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -82.47 -4.34 57.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.485 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -85.15 13.19 6.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.59 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.96 -77.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 57.3 51.87 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.609 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -59.38 -37.47 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.95 175.11 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.61 -42.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -61.03 -45.9 92.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.514 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.59 -37.97 73.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.42 -23.81 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.532 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -76.3 -37.5 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -61.16 -56.8 16.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.626 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -55.41 -38.1 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.524 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.6 tpp -77.26 -34.07 55.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.98 -34.0 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.583 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -53.47 -44.14 68.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.578 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.41 -35.22 73.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.608 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.14 -37.63 87.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.06 -74.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -149.88 106.1 3.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.08 20.01 45.7 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.71 102.63 10.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.05 -161.2 33.85 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.427 ' CD ' ' OD2' ' A' ' 24' ' ' ASP . 94.0 mt-10 -138.5 143.14 39.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 110.559 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.1 m -84.42 175.83 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.593 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.551 ' O ' ' N ' ' A' ' 72' ' ' GLN . 55.9 p30 -147.37 54.05 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.698 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 74' ' ' TYR . 40.5 t80 60.73 -70.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.716 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' A' ' 70' ' ' ASP . 34.2 mt-30 -47.36 -37.67 11.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.0 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -82.63 -18.72 40.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.701 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 71' ' ' PHE . 4.2 t80 -89.49 -33.15 16.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.6 m -77.69 -36.05 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 77' ' ' LEU . 6.2 p -66.95 -42.0 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.668 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.471 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 90.6 mt -64.87 -38.57 91.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.686 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.472 ' O ' ' OG1' ' A' ' 82' ' ' THR . 45.2 t -57.37 -31.01 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.702 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.51 30.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.186 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.38 -19.85 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.965 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 94.1 m -61.18 -54.76 40.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.644 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.2 t -66.33 -31.13 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.18 -39.32 69.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.701 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.547 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 3.2 m -102.92 -56.94 2.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.731 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' CYS . 51.9 t-20 -36.6 132.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.694 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -121.0 88.53 2.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -85.78 -77.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.679 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -71.14 -38.04 72.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -48.91 -42.74 38.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -146.48 140.74 26.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.465 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -87.89 -75.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.622 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.014 -0.994 . . . . 0.0 110.568 -179.935 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -146.33 167.96 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.303 . . . . 0.0 110.599 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.54 -27.84 67.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tt -76.26 -46.19 29.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.473 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -57.89 -48.67 79.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.762 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -69.77 -20.87 63.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.63 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.38 -44.56 76.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.5 mmm -73.64 -30.52 62.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.553 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 77.9 mm-40 -65.8 -20.82 66.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.713 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -82.82 -32.36 27.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.751 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mt -67.57 -46.5 72.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.793 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 tt -66.46 -27.72 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.748 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 4.2 m120 -59.26 -39.1 81.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.656 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.502 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 92.8 t -83.57 -27.65 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.726 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -66.31 -62.1 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.757 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.535 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 3.4 p80 -61.4 -12.79 15.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.772 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.78 -54.8 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.753 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' B' ' 14' ' ' VAL . 2.2 p80 -87.17 -40.67 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -55.1 -31.66 61.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.589 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.61 -53.09 26.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -62.61 -75.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.571 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -126.17 121.69 33.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 -164.44 36.27 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' B' ' 26' ' ' TYR . 66.2 m-20 -90.17 13.59 14.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.744 0.306 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp 57.22 -75.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.557 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.576 ' N ' ' O ' ' B' ' 24' ' ' ASP . 88.7 m-85 -63.16 -27.15 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.494 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -142.4 -172.82 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.435 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.457 ' CD1' ' HD1' ' B' ' 18' ' ' HIS . 3.4 tp -140.02 151.3 45.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -74.78 160.85 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.652 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -83.13 -22.59 33.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' B' ' 31' ' ' LYS . 0.4 OUTLIER -56.3 -40.96 75.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -74.4 -29.11 61.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tp -45.95 -35.91 5.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.621 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.04 -65.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.468 ' O ' ' OG1' ' B' ' 39' ' ' THR . 55.2 mp0 -66.41 -42.39 87.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 110.61 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.8 tp -48.01 -36.55 13.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.305 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.76 -65.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.67 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -64.02 -51.95 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 25.9 m -40.75 -45.28 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.17 -47.05 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.402 ' O ' ' CB ' ' B' ' 42' ' ' SER . 88.3 mt -74.78 -99.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.514 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 1.5 t 74.18 37.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.655 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.35 -44.34 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.557 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 58.1 m-85 -69.84 -27.79 65.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.32 . . . . 0.0 110.563 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.466 ' H ' ' CD2' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -82.49 -4.26 57.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.496 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -85.21 13.21 6.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.59 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.02 -77.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 57.29 51.86 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.644 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -59.41 -37.44 78.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.583 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.9 175.04 10.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.58 -42.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -61.01 -45.85 93.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.58 -38.05 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.45 -23.76 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' B' ' 59' ' ' LYS . 39.3 t0 -76.37 -37.44 57.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.589 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -61.15 -56.77 16.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -55.4 -38.14 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 33.6 tpp -77.22 -34.09 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.587 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' B' ' 55' ' ' ASP . 76.1 tttt -57.97 -33.98 69.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.603 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -53.51 -44.17 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.6 mt -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.15 -37.68 88.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.614 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.97 -74.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.495 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 0.2 OUTLIER -149.89 106.11 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.613 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.13 20.04 45.69 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.76 102.62 10.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.764 0.316 . . . . 0.0 110.541 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.05 -161.25 33.91 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.424 ' CD ' ' OD2' ' B' ' 24' ' ' ASP . 94.1 mt-10 -138.48 143.2 39.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.495 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 16.1 m -84.44 175.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' B' ' 72' ' ' GLN . 55.9 p30 -147.42 54.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 40.8 t80 60.75 -70.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.72 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' B' ' 70' ' ' ASP . 34.2 mt-30 -47.46 -37.64 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.025 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -82.63 -18.67 40.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -89.48 -33.18 16.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.6 m -77.66 -36.07 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.608 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' B' ' 77' ' ' LEU . 6.2 p -66.92 -42.01 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.704 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.466 ' N ' ' CG1' ' B' ' 76' ' ' VAL . 90.6 mt -64.86 -38.6 91.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.476 ' O ' ' OG1' ' B' ' 82' ' ' THR . 45.5 t -57.38 -31.02 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.732 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.7 -19.67 30.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.81 -64.78 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.184 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.38 -19.93 65.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.004 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 94.1 m -61.14 -54.74 40.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.7 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.4 t -66.33 -31.16 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.623 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.37 69.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.557 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 3.2 m -102.88 -56.93 2.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.695 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' B' ' 85' ' ' CYS . 52.0 t-20 -36.64 132.34 0.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.664 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -121.01 88.52 2.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -85.77 -77.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.688 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -71.13 -38.09 72.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.597 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -48.81 -42.74 37.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -146.5 140.71 26.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.439 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -87.9 -75.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.675 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.585 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -83.97 153.41 23.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 0.0 110.549 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.13 -33.79 73.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.1 tp -69.66 -34.0 73.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.616 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' B' ' 41' ' ' LEU . 95.6 mt-10 -60.86 -50.2 74.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.713 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -78.65 -20.71 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.76 -43.17 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.527 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 84.7 mmm -75.77 -33.7 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.493 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 95.2 mt-10 -63.79 -28.95 70.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.61 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.8 m -74.97 -30.15 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.51 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.92 -51.37 22.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -64.49 -27.31 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 78.1 m-20 -54.54 -37.76 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.566 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 t -85.37 -25.64 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.559 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.72 -59.46 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.622 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.515 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 5.2 p80 -64.49 -20.14 66.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.51 77.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.733 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -79.67 -48.0 14.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.656 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.7 t -55.65 -34.35 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.77 -4.56 14.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' CG ' ' H ' ' A' ' 22' ' ' GLU . 41.6 tttt -93.16 -132.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.518 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' H ' ' CG ' ' A' ' 21' ' ' LYS . 96.0 mt-10 -80.38 158.39 26.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.64 -167.71 31.24 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.22 134.19 50.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.587 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' CD ' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -86.7 -24.85 25.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.96 -39.39 72.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -143.35 158.42 43.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.552 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' CG ' ' H ' ' A' ' 29' ' ' SER . 4.1 tp -93.55 -142.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.438 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.502 ' H ' ' CG ' ' A' ' 28' ' ' LEU . 74.2 p -154.07 174.17 15.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.565 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.25 -31.82 15.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.82 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 1.9 mptp? -57.72 -57.32 13.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.647 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -64.15 -32.95 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.742 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -54.47 -45.33 73.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.657 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.64 -25.29 68.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' O ' ' OG1' ' A' ' 39' ' ' THR . 77.7 tt0 -80.07 -50.16 10.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 pp -74.92 -24.12 58.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.981 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mt -51.76 -58.34 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.278 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.563 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.9 pt20 -69.43 -46.91 65.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.74 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 2.4 m -54.21 -46.21 72.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.776 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.97 -43.48 65.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 74.4 mt -86.2 -73.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.639 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.563 ' N ' ' O ' ' A' ' 38' ' ' GLN . 5.7 t 50.17 60.78 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.476 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.77 -51.78 0.03 OUTLIER Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -62.18 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.626 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.58 -21.48 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.632 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.27 -8.52 55.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.666 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.63 85.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.732 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -98.25 109.25 22.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.433 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -66.55 -49.23 67.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.625 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -95.04 -173.03 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.6 p -143.9 -35.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.606 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -60.32 -41.6 93.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.506 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.01 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.489 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.9 t -70.0 -30.68 45.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -74.67 -39.67 61.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.668 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' NZ ' ' CB ' ' A' ' 56' ' ' LYS . 9.4 mtpm? -58.52 -53.03 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.706 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.01 -39.8 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.7 mtt -72.33 -40.15 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -59.76 -34.35 72.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -45.53 -39.36 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.8 -47.61 85.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.479 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -65.85 -41.26 91.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.648 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -63.8 -34.03 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.6 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.65 88.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.41 51.68 0.92 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -87.68 -16.13 35.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.523 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 89.44 -152.04 22.34 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 67' ' ' GLY . 50.2 mt-10 57.09 117.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.757 0.313 . . . . 0.0 110.637 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.4 134.98 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.9 t0 -94.48 161.43 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.525 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 78.9 t80 -53.55 -43.05 68.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.671 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.99 -47.26 72.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.682 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.74 -22.61 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.25 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -71.12 -52.74 17.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.09 -27.36 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.625 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' B' ' 76' ' ' VAL . 53.8 t -67.06 -51.1 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.464 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.12 -42.92 95.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.654 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.43 ' O ' ' OG1' ' A' ' 82' ' ' THR . 71.7 t -59.61 -31.75 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.95 -19.48 30.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.93 -65.02 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.127 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.442 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -62.32 -20.02 63.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.736 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 89.0 m -68.87 -56.73 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.547 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.19 -27.64 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -13.01 21.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 86' ' ' ASN . 53.2 t -126.32 -33.19 2.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.666 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 85' ' ' CYS . 14.1 t-20 -36.91 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.555 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.2 m120 57.07 55.47 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.579 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -69.24 -72.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.543 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.9 -45.91 91.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.63 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -44.57 99.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.383 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -66.84 -84.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.649 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 55.0 -179.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.593 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -83.97 153.39 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.13 -33.72 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.63 -33.98 73.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 41' ' ' LEU . 95.6 mt-10 -60.8 -50.31 73.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.673 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t -78.59 -20.87 49.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.631 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.75 -43.06 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.512 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 84.7 mmm -75.87 -33.76 60.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.449 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 95.3 mt-10 -63.72 -29.01 70.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.634 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.6 m -74.92 -30.17 61.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.9 -51.38 22.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.756 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -64.51 -27.34 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.685 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 77.9 m-20 -54.58 -37.77 65.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.537 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.5 t -85.29 -25.65 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.628 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.74 -59.43 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.498 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 5.2 p80 -64.49 -20.07 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.58 77.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -79.56 -47.96 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.683 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.0 t -55.81 -34.22 65.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.79 -4.59 14.73 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -93.17 -132.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -80.47 158.43 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.476 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.64 -167.73 31.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.25 134.2 50.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.602 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.467 ' H ' ' CD ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -86.77 -24.73 24.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.552 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.99 -39.43 72.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.528 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -143.37 158.36 43.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.603 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.477 ' CG ' ' H ' ' B' ' 29' ' ' SER . 4.1 tp -93.4 -142.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.576 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.477 ' H ' ' CG ' ' B' ' 28' ' ' LEU . 75.1 p -154.07 174.2 15.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.524 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.25 -31.91 15.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.767 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' B' ' 31' ' ' LYS . 1.9 mptp? -57.64 -57.35 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.672 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -64.27 -32.88 74.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.76 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -54.42 -45.36 72.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.614 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.56 -25.47 68.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.538 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -79.94 -50.11 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.006 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 pp -74.95 -24.14 58.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.958 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mt -51.83 -58.29 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.249 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' B' ' 42' ' ' SER . 10.0 pt20 -69.52 -46.83 65.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.742 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -54.16 -46.25 72.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.771 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -71.93 -43.56 65.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.407 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 74.6 mt -86.24 -73.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.599 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.556 ' N ' ' O ' ' B' ' 38' ' ' GLN . 5.7 t 50.22 60.84 3.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.47 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.82 -51.79 0.03 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -62.24 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.582 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.6 -21.47 66.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.643 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.29 -8.47 55.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.68 85.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.692 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -98.35 109.31 22.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -66.54 -49.31 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -95.02 -173.1 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.615 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 14.6 p -143.92 -35.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.58 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -60.22 -41.63 93.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.07 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.9 -30.64 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.584 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -74.72 -39.55 61.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.706 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.409 ' NZ ' ' CB ' ' B' ' 56' ' ' LYS . 9.4 mtpm? -58.66 -53.0 63.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.678 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.02 -39.86 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 51.5 mtt -72.29 -40.15 67.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.587 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -59.74 -34.23 72.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.602 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -45.65 -39.37 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.88 -47.46 86.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -66.0 -41.22 91.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -63.88 -33.94 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.6 88.29 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.714 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.5 51.77 0.91 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -87.75 -16.15 35.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.493 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 89.51 -152.01 22.29 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' B' ' 67' ' ' GLY . 50.2 mt-10 57.15 117.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.585 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.35 135.04 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.9 t0 -94.58 161.36 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.542 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 78.3 t80 -53.44 -43.13 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -66.87 -47.29 72.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.769 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.71 -22.56 63.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.97 0.414 . . . . 0.0 110.257 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -71.27 -52.67 17.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.0 m -59.02 -27.5 36.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.608 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 54.2 t -67.0 -51.04 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.17 -42.96 96.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.428 ' O ' ' OG1' ' B' ' 82' ' ' THR . 71.9 t -59.56 -31.92 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.662 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.51 30.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.04 -64.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.108 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -62.42 -20.09 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.711 0.291 . . . . 0.0 110.701 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 87.4 m -68.83 -56.67 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.61 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 91.7 t -58.17 -27.67 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.05 -13.09 22.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' B' ' 86' ' ' ASN . 53.3 t -126.27 -33.18 2.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.632 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' B' ' 85' ' ' CYS . 14.0 t-20 -36.88 -77.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.3 m120 57.08 55.45 6.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -69.21 -72.84 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.85 -45.97 90.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -44.64 99.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -66.92 -84.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 55.03 -179.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.566 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.472 ' OG ' ' OE2' ' A' ' 5' ' ' GLU . 28.9 p -149.06 172.33 14.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.622 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.25 -26.52 66.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.682 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.8 tp -74.18 -33.89 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.603 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.568 ' OE1' ' N ' ' A' ' 5' ' ' GLU . 0.4 OUTLIER -62.68 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.757 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 t -81.31 -20.9 39.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.696 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.02 -43.79 66.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.53 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 79.0 mmm -73.46 -30.95 63.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.02 -30.51 71.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.1 m -78.4 -32.53 48.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.651 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.79 -53.12 44.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.711 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 tt -61.33 -24.53 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -58.02 -37.29 74.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.9 t -85.48 -27.95 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.765 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.59 -59.34 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.6 p80 -62.48 -22.79 66.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.728 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -63.91 -42.29 97.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.698 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -91.47 -24.82 19.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.69 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.1 p -61.0 -27.09 68.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.53 -161.31 27.26 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt 49.22 -111.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.757 0.313 . . . . 0.0 110.61 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -82.76 164.97 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.18 -148.74 19.31 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -85.86 -178.34 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.86 0.362 . . . . 0.0 110.632 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.36 -48.56 69.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.694 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -141.52 3.93 1.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.943 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -106.26 131.82 53.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.468 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 tp -95.4 145.52 25.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.498 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.4 ' HA ' ' H ' ' A' ' 68' ' ' GLU . 85.7 p -97.88 154.48 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HZ1' ' CG1' ' A' ' 69' ' ' VAL . 67.4 mttm -57.99 -27.38 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.65 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -58.12 -27.2 63.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.413 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -76.88 -44.42 32.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.729 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mt -48.1 -21.44 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.382 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -64.52 -62.16 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -79.22 -44.6 21.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.587 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tp -46.15 -57.3 4.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.508 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' LEU . 29.1 mt -43.95 -64.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.234 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.32 -52.23 62.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.849 0.357 . . . . 0.0 111.081 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.4 m -42.79 -46.4 5.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.247 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -91.15 -50.31 5.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.971 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 37' ' ' LEU . 56.6 mt -96.61 97.27 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.468 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 p -128.29 16.55 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.588 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.85 -36.34 1.71 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -66.78 -47.21 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.656 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD2' ' H ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -73.22 -13.88 61.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.39 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.67 -33.47 76.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.393 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' GLN . . . -103.09 -44.13 5.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.615 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' ALA . 2.7 pt20 32.49 79.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.973 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' N ' ' CD ' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -57.76 -40.54 79.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.652 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -103.68 -172.5 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.13 -47.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.69 -42.39 67.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.692 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -44.82 80.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.66 -27.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.663 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -76.72 -37.77 55.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.665 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -61.29 -50.06 74.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.38 -41.44 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.691 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.0 ttp -77.06 -32.56 56.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.615 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' ASP . 52.1 tttp -65.81 -51.18 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.477 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -45.85 -31.01 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.224 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.63 -34.99 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.45 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' LYS . 91.1 m-20 -66.69 -36.79 83.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.785 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.93 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.499 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 1.6 p30 -93.39 -73.82 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.614 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.499 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . 51.14 26.58 12.8 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.68 -75.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.731 0.3 . . . . 0.0 110.582 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 156.18 -178.1 32.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 67' ' ' GLY . 49.4 mt-10 54.62 113.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 110.81 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.41 ' CG1' ' HZ1' ' A' ' 30' ' ' LYS . 3.9 m -140.57 153.27 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.502 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -93.18 159.79 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.68 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -55.36 -36.05 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.654 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -62.04 -40.49 95.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.728 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -72.73 -31.27 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 0.0 110.454 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -63.57 -51.28 66.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.394 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 m -60.16 -31.31 47.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.55 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.415 ' CG2' ' CG2' ' B' ' 76' ' ' VAL . 46.8 t -63.88 -55.35 22.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.52 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.9 mt -57.46 -42.35 82.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.664 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.479 ' O ' ' OG1' ' A' ' 82' ' ' THR . 56.0 t -57.32 -33.36 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.54 -19.54 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -64.76 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.224 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -64.24 -19.91 65.69 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.86 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 90.4 m -66.37 -53.69 33.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.709 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.27 -24.97 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.549 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.88 -35.65 77.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.799 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.2 t -102.74 -20.99 14.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.668 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.547 ' C ' HD21 ' A' ' 86' ' ' ASN . 0.3 OUTLIER -47.28 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.654 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.4 m120 56.39 46.23 21.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -65.56 -77.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.665 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -68.39 -35.58 77.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.698 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -53.19 98.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.672 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 93' ' ' SER . 78.0 mm-40 -68.73 -31.19 70.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.1 t30 47.08 -91.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.638 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' GLU . 58.6 p . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.561 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.476 ' OG ' ' OE2' ' B' ' 5' ' ' GLU . 29.3 p -148.97 172.44 14.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.633 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.4 -26.44 66.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 58.4 tp -74.21 -33.88 63.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.593 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.572 ' N ' ' OE1' ' B' ' 5' ' ' GLU . 0.4 OUTLIER -62.76 -43.18 99.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.728 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.3 t -81.44 -20.83 39.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.653 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.09 -43.78 67.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.492 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 79.0 mmm -73.52 -30.92 63.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.439 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.14 -30.43 71.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.531 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 76.4 m -78.49 -32.46 48.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -65.87 -53.16 43.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 tt -61.3 -24.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -58.11 -37.18 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.751 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.55 -27.93 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.752 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -65.6 -59.43 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.799 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.532 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 3.6 p80 -62.44 -22.75 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.77 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.435 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -64.04 -42.19 97.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -91.5 -24.86 19.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.653 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.2 p -60.94 -27.11 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.61 -161.29 27.42 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt 49.18 -111.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 0.0 110.519 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -82.74 164.92 20.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.21 -148.75 19.31 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -85.8 -178.41 6.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.35 . . . . 0.0 110.626 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.34 -48.55 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.668 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -141.57 3.92 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.909 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -106.28 131.7 53.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 110.523 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 tp -95.25 145.53 25.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.494 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 85.7 p -97.94 154.35 17.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.601 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -57.97 -27.33 63.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.681 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -58.02 -27.27 63.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.435 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -76.94 -44.45 31.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.65 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mt -48.04 -21.5 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.416 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -64.55 -62.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.609 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -79.18 -44.69 21.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tp -46.18 -57.24 4.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.49 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' B' ' 41' ' ' LEU . 29.1 mt -44.05 -64.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.156 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.39 -52.15 62.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.774 0.321 . . . . 0.0 111.075 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.5 m -42.87 -46.39 5.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.186 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -91.1 -50.38 5.88 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.961 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' B' ' 37' ' ' LEU . 56.6 mt -96.58 97.15 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.534 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.8 p -128.27 16.67 6.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.91 -36.27 1.71 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -66.73 -47.27 72.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.626 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.533 ' H ' ' CD2' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -73.23 -13.93 61.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.338 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.62 -33.45 75.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.415 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' B' ' 48' ' ' GLN . . . -103.09 -44.16 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' B' ' 47' ' ' ALA . 2.7 pt20 32.35 80.03 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.925 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.407 ' CD ' ' N ' ' B' ' 49' ' ' LYS . 0.7 OUTLIER -57.82 -40.52 80.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.639 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -103.73 -172.48 2.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.612 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.12 -47.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.81 -42.38 68.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.617 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.7 -44.86 80.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.68 -27.14 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -76.59 -37.88 55.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.721 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -61.34 -49.93 74.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.49 -41.35 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.664 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 63.9 ttp -77.04 -32.63 57.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.663 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' B' ' 62' ' ' ASP . 52.2 tttp -65.75 -51.16 61.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.585 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -45.88 -30.92 1.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.272 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.72 -35.02 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.393 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' B' ' 59' ' ' LYS . 91.3 m-20 -66.57 -36.87 83.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.752 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.85 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.686 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.511 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 1.6 p30 -93.41 -73.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.511 ' H ' ' CG ' ' B' ' 64' ' ' ASN . . . 51.21 26.59 13.41 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -66.62 -75.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 156.3 -178.15 32.94 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' B' ' 67' ' ' GLY . 49.4 mt-10 54.67 113.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.742 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.58 153.18 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -93.14 159.83 15.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.729 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -55.35 -36.2 66.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.582 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -61.94 -40.53 95.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.702 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -72.75 -31.31 64.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.418 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.54 -51.38 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.1 m -60.05 -31.26 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.619 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.415 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 47.0 t -63.93 -55.29 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.53 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.51 -42.36 82.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.567 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.486 ' O ' ' OG1' ' B' ' 82' ' ' THR . 55.7 t -57.34 -33.46 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.742 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.38 -19.56 31.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.96 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.24 -64.65 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.211 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.428 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -64.25 -20.0 65.76 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.879 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 90.1 m -66.3 -53.8 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.673 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.22 -25.0 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.563 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.81 -35.69 77.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.768 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -102.66 -20.91 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.753 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.55 ' C ' HD21 ' B' ' 86' ' ' ASN . 0.3 OUTLIER -47.43 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.612 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 34.5 m120 56.43 46.18 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.523 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -65.57 -77.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -68.38 -35.74 78.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.648 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -53.08 98.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.564 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' B' ' 93' ' ' SER . 78.0 mm-40 -68.84 -31.26 70.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.471 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 37.2 t30 47.2 -91.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.654 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.472 ' N ' ' O ' ' B' ' 91' ' ' GLU . 58.8 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.571 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -142.37 159.61 41.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.331 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.93 -32.09 71.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tt -78.48 -42.95 28.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.402 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.84 -42.98 94.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.728 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -77.23 -20.77 54.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.611 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.27 -47.9 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.441 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.8 mmm -70.23 -32.03 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 69.3 mm-40 -65.34 -19.54 66.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -79.89 -45.73 18.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.9 -43.43 83.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.511 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -61.52 -42.21 93.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.26 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.1 m120 -54.77 -43.48 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.3 t -76.25 -33.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -54.96 -53.77 51.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.738 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.523 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.4 p80 -71.44 -23.45 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.68 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.488 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -58.93 -38.82 79.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -88.87 -47.32 8.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.7 m -60.82 -39.75 90.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.592 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.78 -32.88 80.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -52.06 149.43 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.521 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -41.45 117.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.478 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.14 -119.53 1.04 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 90.8 m-20 -60.14 158.56 11.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.583 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -84.6 -62.08 1.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.674 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -136.77 24.13 3.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.675 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 46.8 mmtt -130.2 137.38 50.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.717 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 tp -98.26 135.03 40.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -77.51 168.72 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.611 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -86.5 -40.6 15.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.769 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -53.43 -44.44 68.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.608 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.62 -30.04 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 tp -52.81 -50.01 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.626 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.26 -25.5 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.804 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.0 mt-10 -79.17 -41.03 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.54 -26.48 30.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.989 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.23 -57.38 12.04 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -68.69 -45.88 70.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 11.0 m -55.86 -46.27 78.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.78 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -73.83 -36.53 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.645 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 42' ' ' SER . 79.6 mt -93.15 -103.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 1.4 p 81.68 33.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.626 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.64 -55.39 0.04 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 62.2 m-85 -57.47 -35.83 70.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.568 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.5 ' CD2' ' H ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -80.21 -28.15 38.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -73.4 0.41 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.601 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.54 42.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -70.02 125.79 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.617 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -96.09 -48.64 5.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.542 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -79.25 161.95 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.715 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.4 -35.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.354 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -69.0 -58.12 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.496 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.86 -31.18 66.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.491 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.8 t -71.16 -22.08 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.649 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -80.36 -37.0 33.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -48.18 -51.45 25.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.709 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 p -53.4 -34.68 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.902 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.7 mtt -73.91 -35.02 64.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.805 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -52.76 -58.79 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.522 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -49.91 -32.7 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.387 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.48 -45.32 65.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.439 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 59.3 t0 -71.43 -38.08 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.605 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -58.16 -32.4 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.41 -103.74 0.41 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.515 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.63 3.46 68.78 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -150.07 71.5 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -173.99 176.87 46.43 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -106.32 175.85 5.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.8 146.7 30.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.24 168.56 11.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -58.97 -38.48 79.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.761 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -70.67 -47.5 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.795 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 1.5 mp0 -70.65 -20.4 62.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 0.0 110.261 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -73.33 -52.96 12.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 m -58.15 -29.76 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.613 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.27 -51.72 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.613 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 98.6 mt -57.73 -42.37 83.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.556 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.484 ' O ' ' OG1' ' A' ' 82' ' ' THR . 65.7 t -62.23 -31.17 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.629 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.72 -19.3 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.59 -64.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.75 -19.84 65.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.967 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 57.4 m -71.12 -52.01 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.708 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.77 -36.82 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.665 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.49 95.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 83.8 m -92.24 -6.18 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 82' ' ' THR . 41.8 t30 -64.26 137.97 58.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.639 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -133.45 36.55 3.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -55.59 -41.76 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.406 ' C ' ' H ' ' A' ' 91' ' ' GLU . 73.5 t80 -142.94 -15.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -58.03 -9.83 1.56 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.522 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' A' ' 89' ' ' PHE . 94.8 mt-10 -48.78 153.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.553 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 93' ' ' SER . 57.3 t30 -44.44 -34.45 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 92' ' ' ASN . 3.2 t . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -142.33 159.66 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.609 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.93 -32.18 71.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tt -78.5 -42.91 28.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -59.83 -42.94 94.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.719 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.1 t -77.23 -20.87 54.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.26 -47.86 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.412 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.9 mmm -70.32 -31.97 69.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 69.3 mm-40 -65.27 -19.66 66.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.533 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -79.95 -45.65 18.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.496 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.6 mt -66.97 -43.35 83.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' B' ' 13' ' ' ASN . 0.2 OUTLIER -61.62 -42.21 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.148 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.457 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 3.1 m120 -54.74 -43.46 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.527 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 74.8 t -76.31 -33.43 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.87 -53.83 50.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.752 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.53 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 3.4 p80 -71.35 -23.44 61.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.711 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.484 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.02 -38.8 80.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.467 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -88.78 -47.4 8.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.8 m -60.8 -39.81 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.8 -32.78 80.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -51.89 149.36 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 110.574 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -41.54 117.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.499 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.13 -119.45 1.03 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' B' ' 27' ' ' LYS . 90.8 m-20 -60.12 158.49 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.628 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -84.55 -62.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.709 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -136.79 24.2 3.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.607 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' B' ' 24' ' ' ASP . 46.8 mmtt -130.33 137.34 49.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.639 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.3 tp -98.23 135.09 40.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.469 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -77.65 168.78 19.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.653 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -86.45 -40.74 15.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -53.44 -44.43 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.53 -30.08 70.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.584 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 tp -52.85 -50.07 64.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.15 -25.63 66.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.765 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' B' ' 39' ' ' THR . 95.9 mt-10 -79.2 -40.99 29.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.014 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.54 -26.47 30.1 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.005 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.22 -57.42 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.365 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -68.65 -45.93 70.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 11.2 m -55.87 -46.16 78.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.773 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -73.97 -36.47 64.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.587 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' B' ' 42' ' ' SER . 79.5 mt -93.07 -103.84 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 1.4 p 81.64 33.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.62 -55.55 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.443 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 62.1 m-85 -57.35 -35.86 70.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.585 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.511 ' H ' ' CD2' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -80.24 -28.05 38.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.492 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -73.39 0.31 12.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.5 42.1 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.53 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -69.98 125.81 27.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.556 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -96.09 -48.6 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -79.31 161.88 25.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.63 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.32 -35.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.358 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 0.9 OUTLIER -68.96 -58.16 4.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.436 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.97 -31.07 66.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 76.5 t -71.02 -22.34 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.688 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -80.23 -36.95 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.997 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -48.14 -51.42 24.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 p -53.4 -34.76 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.89 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 58.7 mtt -73.82 -35.08 64.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -52.71 -58.86 5.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -49.82 -32.7 14.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.411 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.56 -45.16 65.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.434 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 59.4 t0 -71.65 -38.02 70.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -58.09 -32.42 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.6 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.43 -103.75 0.41 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.64 3.41 68.81 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -150.01 71.49 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.766 0.317 . . . . 0.0 110.485 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -173.99 176.85 46.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -106.33 175.82 5.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.768 0.318 . . . . 0.0 110.624 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.76 146.71 30.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -91.22 168.57 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.531 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.92 -38.44 78.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -70.82 -47.35 59.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.769 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.419 ' CD ' ' N ' ' B' ' 73' ' ' GLU . 1.5 mp0 -70.81 -20.41 62.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.98 0.419 . . . . 0.0 110.185 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -73.3 -52.92 12.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.363 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 19.8 m -58.19 -29.74 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.644 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.15 -51.78 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 98.3 mt -57.71 -42.4 83.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.523 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.479 ' O ' ' OG1' ' B' ' 82' ' ' THR . 65.7 t -62.21 -31.23 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.666 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.6 -19.38 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.52 -64.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.275 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.421 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.8 -19.97 65.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.908 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 58.2 m -71.12 -51.97 21.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.669 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -58.79 -36.81 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.652 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.36 -40.53 96.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.729 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.443 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 83.9 m -92.29 -6.08 51.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.701 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' B' ' 82' ' ' THR . 41.8 t30 -64.27 138.01 58.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.69 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -133.5 36.51 3.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -55.52 -41.81 73.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.403 ' C ' ' H ' ' B' ' 91' ' ' GLU . 73.7 t80 -142.94 -14.97 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.622 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -58.13 -9.77 1.59 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.517 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.403 ' H ' ' C ' ' B' ' 89' ' ' PHE . 94.9 mt-10 -48.8 153.54 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.533 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' B' ' 93' ' ' SER . 57.2 t30 -44.39 -34.5 2.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.548 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.413 ' O ' ' O ' ' B' ' 92' ' ' ASN . 3.2 t . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.588 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -69.48 162.12 28.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.332 . . . . 0.0 110.641 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.72 -28.34 69.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -72.61 -30.28 64.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.651 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -67.16 -52.84 36.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.675 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.43 -21.39 63.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.87 76.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.3 mmm -73.98 -31.65 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.542 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.23 -27.25 68.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.642 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.9 m -78.5 -41.1 33.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.729 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.33 -54.44 45.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.8 tt -59.18 -39.25 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.67 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -49.21 -37.6 23.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -80.71 -37.09 16.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.562 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -65.4 -60.53 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.529 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.07 -30.89 62.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.439 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.38 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -80.07 -37.24 34.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -66.58 -25.16 66.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.02 93.12 1.59 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -147.66 -96.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -157.96 35.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.53 -139.75 3.51 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.37 86.53 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.738 0.304 . . . . 0.0 110.603 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -69.97 -17.32 63.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.619 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -69.73 -26.45 64.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -142.07 -167.42 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 tp -140.39 149.99 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.624 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.4 p -74.84 170.28 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.619 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.601 ' HZ3' ' CG1' ' A' ' 69' ' ' VAL . 60.6 mttm -88.82 -33.79 17.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -60.44 -51.58 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.786 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -64.69 -26.66 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.746 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.02 -38.31 67.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.566 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -77.3 -25.55 51.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.7 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' OG1' ' A' ' 39' ' ' THR . 40.1 tp10 -70.73 -43.47 68.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.076 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 pp -77.88 -33.3 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.027 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.72 -58.86 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.485 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.53 -49.35 66.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 27.7 m -55.45 -45.9 76.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.48 -43.78 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' O ' ' OG ' ' A' ' 42' ' ' SER . 89.9 mt -81.19 -90.18 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.727 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 41' ' ' LEU . 7.8 p 65.49 36.75 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.535 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.1 -62.03 0.02 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -49.22 -47.95 45.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.769 0.319 . . . . 0.0 110.619 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.51 -28.33 69.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 8.3 t0 -72.03 -2.11 17.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.65 55.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.617 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -79.5 138.45 37.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -88.01 -74.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -72.87 144.94 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.557 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -107.59 -38.72 4.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.45 -43.72 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.48 92.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.2 t -66.48 -35.13 74.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.587 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -70.81 -36.15 72.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.654 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.39 -57.46 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.56 -37.14 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.8 mtt -76.1 -36.03 59.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.736 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -60.42 -41.09 93.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.63 -41.09 63.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.59 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.0 mt -76.7 -37.54 55.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -67.18 -38.21 85.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.666 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -55.01 -31.22 60.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.495 ' N ' ' ND2' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.66 71.78 0.44 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.53 -34.22 88.83 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.489 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 51.2 p-10 -75.79 77.55 2.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.781 0.324 . . . . 0.0 110.639 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.5 -166.89 23.1 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -140.76 159.73 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.601 ' CG1' ' HZ3' ' A' ' 30' ' ' LYS . 29.7 m -137.8 154.38 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.59 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -95.89 177.44 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -54.36 -53.72 50.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -57.72 -40.54 79.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.565 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.51 -18.45 61.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.258 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -86.98 -58.93 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.464 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.0 m -49.13 -44.91 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.15 -37.04 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.795 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.3 mt -70.33 -39.91 74.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.0 t -61.86 -30.47 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.596 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.4 30.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.66 -64.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.137 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -62.78 -19.62 64.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.811 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 79.6 m -66.65 -50.59 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.643 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.56 -37.84 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.628 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.55 -35.24 75.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.4 m -93.44 -26.21 17.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 38.4 t-20 -55.5 141.79 35.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 47.2 p-10 -142.97 43.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.565 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -62.6 -69.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.607 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -75.25 -39.84 59.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -54.13 -32.5 55.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 41.75 34.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -79.36 71.99 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.593 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.561 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 72.8 m -69.55 162.1 28.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.345 . . . . 0.0 110.638 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.79 -28.19 69.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -72.61 -30.44 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.567 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -67.08 -52.78 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.48 -21.37 63.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.698 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.31 -45.83 76.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.611 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 31.3 mmm -73.9 -31.74 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.24 -27.14 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.677 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.8 m -78.57 -41.07 32.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.37 -54.41 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.709 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' B' ' 13' ' ' ASN . 17.8 tt -59.22 -39.28 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.685 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.4 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 47.6 t30 -49.12 -37.66 22.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 79.3 t -80.68 -37.09 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -65.37 -60.51 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.01 -31.03 62.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.316 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.25 95.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.605 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -80.1 -37.22 34.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.612 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -66.66 -25.15 66.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.46 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.06 93.11 1.59 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -147.63 -96.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.559 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -157.97 35.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.46 -139.67 3.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.34 86.54 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -70.12 -17.23 63.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -69.79 -26.39 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -142.12 -167.46 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.532 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 tp -140.34 149.99 43.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 82.6 p -74.91 170.24 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.598 ' HZ3' ' CG1' ' B' ' 69' ' ' VAL . 60.7 mttm -88.83 -33.71 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.639 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -60.42 -51.61 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -64.64 -26.71 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.716 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.97 -38.28 67.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.602 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -77.38 -25.56 51.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.735 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -70.66 -43.51 69.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 pp -77.87 -33.21 52.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.027 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.73 -58.79 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.604 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.52 -49.3 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.895 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 28.1 m -55.61 -45.93 77.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.48 -43.65 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.871 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.454 ' O ' ' OG ' ' B' ' 42' ' ' SER . 90.2 mt -81.33 -90.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.656 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' B' ' 41' ' ' LEU . 7.6 p 65.38 36.87 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.25 -61.99 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -49.16 -47.96 45.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.724 0.297 . . . . 0.0 110.601 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.57 -28.28 69.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 8.4 t0 -72.09 -2.06 17.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.7 55.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.641 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -79.45 138.47 37.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.647 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -88.06 -74.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -72.98 144.92 47.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.477 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -107.57 -38.65 4.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.658 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.53 -43.63 98.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.697 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.4 92.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.56 -35.08 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.581 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -70.76 -36.22 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.691 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.28 -57.58 12.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.43 -37.21 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.664 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 46.9 mtt -76.13 -35.95 59.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.698 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -60.58 -41.0 93.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.63 -41.07 63.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 59.3 mt -76.73 -37.63 55.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.5 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -67.09 -38.21 85.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -55.03 -31.25 60.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.633 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.478 ' N ' ' ND2' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -160.6 71.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.41 -34.37 89.15 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 51.1 p-10 -75.74 77.62 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.643 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.52 -166.94 23.2 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -140.78 159.67 41.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.598 ' CG1' ' HZ3' ' B' ' 30' ' ' LYS . 29.9 m -137.79 154.41 29.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -95.89 177.4 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -54.23 -53.86 47.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -57.57 -40.63 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -72.45 -18.51 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.309 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -87.11 -58.81 2.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.396 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 35.0 m -49.2 -44.88 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.821 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' B' ' 77' ' ' LEU . 7.3 p -57.14 -37.12 54.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.754 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.4 ' N ' ' CG1' ' B' ' 76' ' ' VAL . 85.5 mt -70.33 -39.87 74.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.66 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 83.9 t -61.8 -30.58 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.625 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.77 -19.44 30.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.62 -64.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.438 ' N ' ' CD2' ' B' ' 81' ' ' LEU . 1.6 pt? -62.83 -19.75 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.812 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.7 m -66.48 -50.63 62.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 110.662 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 98.4 t -63.61 -37.68 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.17 75.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.45 -26.23 17.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 38.5 t-20 -55.46 141.8 35.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.465 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 47.1 p-10 -143.0 43.91 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -62.56 -70.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.564 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -75.24 -39.8 59.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 53.5 m95 -54.16 -32.44 55.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 41.65 34.75 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.595 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -79.42 72.03 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.53 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.581 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 p -73.58 158.31 35.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.757 0.313 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -56.72 -26.7 57.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.574 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -76.04 -34.45 59.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.519 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.581 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 48.0 mt-10 -63.0 -45.52 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.711 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 t -77.92 -20.81 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.63 -36.13 64.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.4 mmm -82.61 -32.62 28.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.588 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -61.98 -22.05 65.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.513 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.0 m -76.24 -39.16 55.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.499 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.38 -46.73 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.678 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -58.94 -39.05 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.213 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.405 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 73.3 m-20 -66.2 -44.34 84.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.14 -41.46 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.27 -44.8 65.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.35 -33.35 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.19 76.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.681 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -89.33 -41.75 11.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.673 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 p -64.2 -28.52 69.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.613 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.54 -27.91 59.05 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.75 -175.99 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 110.65 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.76 132.33 51.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.596 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.47 -163.34 25.77 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' A' ' 27' ' ' LYS . 10.6 t70 -70.94 135.59 48.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -82.19 -48.05 11.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.717 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -77.34 -10.97 59.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.584 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 92.2 mttt -143.9 -173.54 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.726 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -134.15 140.04 46.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.399 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.3 p -66.34 173.33 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.499 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -90.42 -26.97 19.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.07 -28.81 66.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.671 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.54 -33.65 75.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.712 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 33' ' ' LEU . 4.3 mm? -53.28 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -53.96 -25.48 20.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -81.4 -56.56 3.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.171 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.33 -37.13 77.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.972 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.4 mt -47.93 -64.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 110.587 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.28 -53.58 53.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -50.21 -38.43 40.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -82.19 -48.66 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.567 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 5.9 mp -85.9 -81.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.827 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.498 ' O ' ' OG ' ' A' ' 42' ' ' SER . 4.8 t 56.89 27.0 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.115 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.02 -46.46 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -63.49 -51.1 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.49 -24.28 67.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.894 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' A' ' 42' ' ' SER . 84.0 m-20 -68.3 -5.93 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.415 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.39 71.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -84.01 105.53 14.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.58 -42.97 99.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -105.61 133.25 50.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.3 p -91.24 -30.01 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' A' ' 53' ' ' ALA . 22.4 p-10 -73.23 -54.05 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.719 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -44.55 -49.98 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.646 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.08 -29.16 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -64.02 -36.87 85.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.17 -62.41 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.552 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.42 -38.85 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.54 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.1 ttp -67.3 -37.33 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.632 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.68 -41.31 99.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -52.1 -38.04 56.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.492 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 65' ' ' GLY . 51.9 mt -69.7 -36.64 76.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.68 -40.3 91.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.42 -35.47 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.447 ' N ' ' ND2' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -164.59 73.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.496 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -54.38 -34.74 54.77 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -88.99 133.53 34.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.575 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.21 -165.53 33.83 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -133.67 156.94 46.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.465 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 m -137.82 151.51 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -93.85 -172.15 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -63.3 -54.84 30.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.654 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -56.12 -49.55 73.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.542 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -65.12 -18.35 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.391 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -87.8 -63.48 1.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.637 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.6 m -48.34 -48.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.896 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.04 -29.21 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.479 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.2 -41.0 64.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.452 ' O ' ' OG1' ' A' ' 82' ' ' THR . 57.2 t -63.08 -27.5 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.72 -19.47 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.75 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.34 -64.68 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.411 HD23 ' H ' ' A' ' 82' ' ' THR . 1.6 pt? -62.27 -19.39 63.18 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.817 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 51.1 m -73.08 -45.43 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.745 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.9 -30.99 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.88 -31.68 63.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 t -96.5 -25.12 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.468 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 30.0 t30 -68.13 131.76 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.468 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 94.3 m-20 -149.96 44.33 0.9 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -57.8 -35.22 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.55 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -167.47 22.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.622 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -94.12 28.67 2.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.589 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -56.78 -55.6 32.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -68.69 -36.31 78.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.469 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.578 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.583 ' N ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.5 p -73.64 158.34 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.533 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -56.74 -26.71 57.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.5 tp -75.99 -34.45 59.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' B' ' 1' ' ' GLY . 47.9 mt-10 -63.02 -45.53 91.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.4 t -77.83 -20.94 52.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.52 -36.18 63.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.6 mmm -82.59 -32.7 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.502 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -62.02 -21.93 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.514 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.8 m -76.27 -39.14 55.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.457 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.5 -46.76 53.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.53 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.456 HG21 HD11 ' B' ' 12' ' ' ILE . 0.2 OUTLIER -58.94 -39.05 76.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.216 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.41 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 73.3 m-20 -66.19 -44.37 84.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.76 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.09 -41.54 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.68 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -52.26 -44.78 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.34 -33.39 75.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.627 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.25 76.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -89.34 -41.64 12.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.719 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.6 p -64.25 -28.46 69.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.66 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.61 -27.82 59.13 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.77 -176.01 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.592 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.78 132.34 51.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.49 -163.27 25.78 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' B' ' 27' ' ' LYS . 10.6 t70 -71.03 135.63 47.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.506 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -82.2 -47.94 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.787 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -77.53 -10.87 59.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.681 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.58 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 92.2 mttt -143.96 -173.57 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.679 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -134.07 140.01 46.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.345 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 55.5 p -66.2 173.38 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.53 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -90.53 -26.82 19.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.656 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.22 -28.73 66.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.618 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.65 -33.57 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.737 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' B' ' 33' ' ' LEU . 4.3 mm? -53.28 -61.56 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -54.07 -25.44 21.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -81.41 -56.51 4.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.143 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.24 -37.19 77.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.991 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 27.5 mt -47.93 -64.8 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.585 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -62.43 -53.51 53.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 22.2 m -50.14 -38.43 39.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -82.13 -48.76 10.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.985 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.581 ' N ' ' CD1' ' B' ' 41' ' ' LEU . 6.0 mp -85.88 -81.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.947 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' B' ' 42' ' ' SER . 4.8 t 56.84 27.08 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.104 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.04 -46.37 0.08 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -63.65 -51.07 66.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.42 -24.27 67.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 42' ' ' SER . 83.9 m-20 -68.35 -5.88 21.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.496 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.41 71.48 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.469 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -83.99 105.51 14.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -61.5 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.421 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -105.64 133.29 50.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 14.4 p -91.24 -30.0 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.601 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.411 ' CG ' ' N ' ' B' ' 53' ' ' ALA . 22.4 p-10 -73.21 -54.01 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.726 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' B' ' 52' ' ' ASP . . . -44.64 -50.07 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.54 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.12 -29.09 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.47 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.97 -36.97 85.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.19 -62.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.39 -38.87 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.1 ttp -67.27 -37.32 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.657 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.7 -41.35 99.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -52.11 -37.98 55.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.537 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 65' ' ' GLY . 51.8 mt -69.82 -36.58 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.519 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.66 -40.29 91.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.46 -35.35 73.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.469 ' ND2' ' N ' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -164.72 73.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.512 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -54.43 -34.81 55.14 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -89.0 133.54 34.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.26 -165.5 33.84 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -133.67 156.95 46.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.313 . . . . 0.0 110.49 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.81 151.44 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -93.81 -172.08 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -63.41 -54.8 31.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.622 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.03 -49.65 73.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -64.96 -18.58 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.389 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -87.63 -63.47 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.635 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.8 m -48.53 -48.6 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.943 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.01 -29.2 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.633 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.2 -41.04 64.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.581 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.45 ' O ' ' OG1' ' B' ' 82' ' ' THR . 57.2 t -62.98 -27.63 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.59 -19.52 30.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.35 -64.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.282 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.416 HD23 ' H ' ' B' ' 82' ' ' THR . 1.6 pt? -62.25 -19.57 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 0.0 110.817 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 52.2 m -72.97 -45.41 58.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.6 t -62.94 -30.94 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.627 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.99 -31.64 63.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 37.5 t -96.53 -25.02 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.484 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 29.9 t30 -68.12 131.7 45.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' B' ' 86' ' ' ASN . 94.1 m-20 -150.01 44.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -57.8 -35.1 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.637 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -167.55 22.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -94.17 28.78 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.553 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -56.8 -55.55 32.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -68.77 -36.38 78.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.556 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -65.77 150.5 48.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.381 . . . . 0.0 110.54 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 7.3 mp0 -67.12 -30.07 69.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 tp -60.36 -29.19 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.624 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.89 -49.01 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 t -80.46 -21.0 42.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.753 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.46 -35.7 30.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -83.63 -27.97 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.529 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 99.3 mt-10 -64.82 -27.38 68.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.728 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 m -79.42 -27.26 41.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.723 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.45 -46.51 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.652 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.2 tt -68.94 -32.0 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.809 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.9 m120 -54.81 -37.28 65.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.706 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -86.21 -23.97 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.811 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -70.15 -63.26 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.734 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.593 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 3.4 p80 -57.2 -29.48 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.593 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -59.05 -43.43 91.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -81.48 -31.7 32.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.706 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p -67.43 -21.53 65.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.699 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.29 19.13 55.09 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' A' ' 22' ' ' GLU . 83.7 tttt -149.11 125.16 10.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.66 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.481 ' O ' ' O ' ' A' ' 21' ' ' LYS . 96.8 mt-10 35.88 96.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.87 -175.05 27.39 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -67.39 -135.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 110.492 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -158.58 -47.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -72.17 -24.98 61.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.454 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -144.08 -176.91 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.51 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -128.98 142.98 50.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.7 p -68.55 166.91 16.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.66 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.494 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 49.9 mttm -89.84 -35.07 15.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.669 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -56.15 -54.43 45.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -61.6 -32.64 72.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -36.84 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.398 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -73.65 -25.32 60.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.51 -42.29 43.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.383 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.77 -24.08 41.75 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.245 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -54.04 -52.55 60.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -69.98 -45.62 66.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -59.99 -41.17 91.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -83.48 -50.27 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.701 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.08 96.8 7.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.5 t -123.93 -6.68 7.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.473 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.32 -15.21 59.1 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -88.55 -25.62 22.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.008 0.432 . . . . 0.0 110.131 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.35 -28.24 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.908 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.43 -28.39 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.555 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.39 41.13 3.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.558 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -59.87 132.64 54.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.51 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -90.95 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.51 145.02 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 52' ' ' ASP . 14.9 p -99.69 -45.32 11.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.677 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.432 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 76.9 m-20 -67.46 -41.42 84.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.597 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.36 96.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.604 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.04 -28.84 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.529 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -82.16 -20.1 38.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.419 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -55.59 -55.03 36.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 p -55.6 -35.35 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 47.9 mmm -62.16 -32.75 73.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.375 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -60.29 -39.21 86.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.494 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -56.95 -45.94 82.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -62.93 -38.24 90.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.631 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -58.34 -43.52 88.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.46 -37.64 85.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -94.26 -119.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.89 20.5 50.03 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 55.2 p30 -166.46 72.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.643 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.34 -168.55 37.27 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.6 mp0 -133.06 160.75 36.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.894 0.378 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.494 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 29.9 m -134.31 154.39 37.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -93.0 172.48 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -54.49 -39.53 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -65.47 -44.97 85.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.14 -25.36 62.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.378 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -69.27 -53.41 19.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.382 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.7 m -56.9 -29.81 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.649 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.47 -47.8 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.682 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.67 -31.59 71.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.704 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.483 ' O ' ' OG1' ' A' ' 82' ' ' THR . 54.2 t -66.67 -30.94 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.701 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.85 -19.37 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.85 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.099 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.53 -20.02 65.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.864 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 39.8 m -68.82 -46.89 67.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.7 t -68.83 -31.32 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.637 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.07 -34.14 59.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.7 t -95.28 -38.03 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.657 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.56 143.8 39.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.676 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -143.9 64.62 1.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.434 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.516 ' C ' ' H ' ' A' ' 90' ' ' TRP . 29.6 t80 -90.38 -65.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.748 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.684 ' CE2' ' NE1' ' A' ' 90' ' ' TRP . 4.9 p90 -70.34 12.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.748 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.684 ' NE1' ' CE2' ' A' ' 89' ' ' PHE . 49.8 m95 -97.59 -56.16 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.576 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -88.83 139.58 30.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.59 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 56.4 42.28 27.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.521 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.7 t . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.582 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -65.71 150.43 48.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.331 . . . . 0.0 110.585 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.457 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 7.3 mp0 -67.1 -30.07 69.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 tp -60.29 -29.21 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.674 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.83 -48.99 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.1 t -80.52 -21.04 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.716 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.34 -35.79 29.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 80.7 mmm -83.6 -28.01 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.582 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.522 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 99.3 mt-10 -64.76 -27.34 68.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.749 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.4 m -79.4 -27.24 41.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.46 -46.63 59.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.3 tt -68.86 -32.02 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.752 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.9 m120 -54.8 -37.23 65.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.75 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.9 t -86.24 -23.96 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.783 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -70.12 -63.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.755 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.602 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 3.3 p80 -57.28 -29.32 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.769 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.602 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.16 -43.51 92.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.755 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -81.45 -31.64 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.673 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.3 p -67.46 -21.58 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.629 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.23 19.1 55.2 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 22' ' ' GLU . 83.7 tttt -149.09 125.16 10.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.658 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' B' ' 21' ' ' LYS . 96.8 mt-10 35.81 96.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.788 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.83 -175.06 27.34 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -67.39 -135.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.512 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -158.62 -47.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.626 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -72.22 -24.94 61.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -144.08 -176.87 5.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.556 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tp -128.99 143.01 50.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.503 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 75.2 p -68.6 166.91 16.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.653 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.493 ' NZ ' ' CG1' ' B' ' 69' ' ' VAL . 49.9 mttm -89.83 -34.99 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -56.28 -54.33 46.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -61.59 -32.67 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.56 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.63 -36.85 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.487 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.401 ' HZ3' ' HE2' ' B' ' 58' ' ' MET . 41.8 tttp -73.52 -25.44 60.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.917 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.52 -42.18 44.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.416 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.86 -24.13 41.46 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.23 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -53.95 -52.56 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -70.05 -45.53 66.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.2 m -59.91 -41.37 91.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -83.37 -50.3 8.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.74 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.12 96.85 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.442 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.4 t -124.0 -6.65 7.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.34 -15.27 58.98 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -88.43 -25.7 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.966 0.412 . . . . 0.0 110.107 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.38 -28.22 22.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.904 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -63.42 -28.39 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.563 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.38 41.07 3.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.615 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -59.77 132.49 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.526 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -90.88 -62.08 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -88.64 145.07 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' B' ' 52' ' ' ASP . 14.9 p -99.67 -45.41 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.434 ' N ' ' CG1' ' B' ' 51' ' ' VAL . 77.0 m-20 -67.42 -41.47 84.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.591 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.34 97.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.616 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.1 -28.76 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.544 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -82.22 -20.12 38.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -55.49 -55.06 36.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.498 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.65 -35.32 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.401 ' HE2' ' HZ3' ' B' ' 34' ' ' LYS . 47.6 mmm -62.2 -32.79 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.355 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -60.26 -39.18 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.559 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -57.02 -45.8 82.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -62.97 -38.31 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -58.3 -43.57 88.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.73 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.36 -37.65 85.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -94.37 -119.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.556 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.89 20.53 49.98 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.488 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 55.1 p30 -166.47 72.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.825 0.345 . . . . 0.0 110.607 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.3 -168.53 37.22 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -133.02 160.75 36.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.481 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.493 ' CG1' ' NZ ' ' B' ' 30' ' ' LYS . 30.0 m -134.38 154.4 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.498 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -93.04 172.54 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -54.5 -39.53 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -65.48 -44.96 85.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.07 -25.41 62.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -69.27 -53.45 19.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.364 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 19.7 m -56.82 -29.87 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.644 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.51 -47.76 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.654 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.71 -31.52 71.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.469 ' O ' ' OG1' ' B' ' 82' ' ' THR . 54.2 t -66.67 -31.06 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.658 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.61 -19.57 30.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.84 -64.75 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.217 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.63 -20.03 65.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.781 0.324 . . . . 0.0 110.855 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 39.5 m -68.84 -46.86 67.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.2 t -68.89 -31.32 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.573 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.16 -34.05 59.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.637 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 51.5 t -95.35 -37.89 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.637 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.58 143.9 39.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -143.93 64.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.441 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.521 ' C ' ' H ' ' B' ' 90' ' ' TRP . 29.7 t80 -90.32 -65.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.741 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.682 ' CE2' ' NE1' ' B' ' 90' ' ' TRP . 4.9 p90 -70.21 12.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.682 ' NE1' ' CE2' ' B' ' 89' ' ' PHE . 49.6 m95 -97.65 -56.21 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.517 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -88.76 139.57 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.637 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 56.35 42.25 27.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.583 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.616 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 87.9 p -149.9 167.54 26.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.785 0.326 . . . . 0.0 110.579 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -59.21 -34.79 72.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 2.9 tm? -74.49 -48.92 24.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.269 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.616 ' H ' ' HG ' ' A' ' 2' ' ' SER . 97.1 mt-10 -55.96 -53.03 61.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.678 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -65.02 -23.14 67.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.74 -52.44 40.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.637 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -68.39 -30.9 69.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.79 -29.4 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 m -76.87 -32.61 57.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.82 -53.67 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.704 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -58.79 -25.37 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.572 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.87 -37.3 84.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.701 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -85.46 -28.52 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.22 -63.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.539 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.3 p80 -61.39 -21.04 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.655 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.14 90.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.733 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -90.39 -21.24 22.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.666 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -62.97 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.688 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.29 59.53 0.36 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -158.56 -81.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.766 0.317 . . . . 0.0 110.707 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.54 -43.55 8.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.593 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . -69.44 -168.75 6.23 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 25' ' ' LYS . 21.8 t70 -56.35 -120.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.527 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' N ' ' OD2' ' A' ' 24' ' ' ASP . 51.2 tttm -145.48 -36.1 0.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -109.14 -13.71 14.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -144.06 155.35 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -106.07 150.3 25.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.616 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -87.78 149.81 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' A' ' 68' ' ' GLU . 23.2 mtmm -68.84 -27.25 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -52.29 -38.72 59.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.27 -29.61 26.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.2 tp -51.83 -36.45 48.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -78.69 -25.45 44.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.32 -46.6 15.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.072 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 pp -74.96 -25.97 59.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.975 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mt -54.32 -53.56 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.485 ' O ' ' OG ' ' A' ' 42' ' ' SER . 42.8 mt-30 -69.42 -47.35 64.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.5 m -57.98 -45.48 86.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -70.41 -43.01 70.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.742 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 67.4 mt -86.37 -76.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 3.9 m 54.09 54.21 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.54 -49.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.478 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 46.2 m-85 -60.72 -25.28 66.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.465 ' CD2' ' H ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -83.06 -19.54 36.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.424 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.83 9.47 6.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.611 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.524 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -166.34 74.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.582 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -96.02 130.33 43.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.542 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.55 -77.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.611 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -74.24 134.35 42.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.634 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.1 p -88.83 -37.2 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.673 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.507 ' CG ' ' N ' ' A' ' 53' ' ' ALA . 16.7 p-10 -64.02 -56.15 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.657 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.507 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -53.65 -40.77 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.612 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.5 t -69.24 -23.59 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 59' ' ' LYS . 43.9 t0 -78.55 -33.69 47.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.722 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -54.27 -64.03 0.96 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.57 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 58' ' ' MET . 5.9 p -49.04 -37.72 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.714 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.408 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 63.7 mtt -75.07 -34.13 61.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ASP . 8.5 ttmm -57.17 -39.24 74.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -55.65 -40.94 72.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.37 -40.29 95.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.502 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.33 -41.63 80.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.604 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -67.42 -50.1 60.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.676 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -103.25 -110.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.604 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.75 18.69 56.02 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -56.72 -34.72 67.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.6 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.56 60.15 1.0 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.522 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 80.8 tt0 -168.38 113.38 0.63 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.748 0.309 . . . . 0.0 110.565 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.54 147.57 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.435 ' OD1' ' CD ' ' A' ' 73' ' ' GLU . 4.8 p-10 -92.11 -170.19 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.636 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -73.71 -46.06 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -62.95 -45.14 93.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.765 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' CD ' ' OD1' ' A' ' 70' ' ' ASP . 99.4 mt-10 -71.24 -18.37 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.453 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -82.02 -53.63 5.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.583 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.3 m -59.09 -45.1 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.998 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.28 -37.43 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.741 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.1 mt -69.52 -38.85 77.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.757 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.478 ' O ' ' OG1' ' A' ' 82' ' ' THR . 76.2 t -63.01 -26.66 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.48 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.87 -65.02 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.23 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.01 -19.55 64.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.812 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 32.1 m -69.13 -51.24 40.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.725 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.52 -38.7 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.77 -30.04 71.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 48.5 t -109.62 17.43 21.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -89.31 132.54 34.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 4.9 p30 -118.69 60.11 0.81 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.48 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -85.03 -69.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -93.52 -20.3 20.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -57.8 -104.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.558 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -73.92 143.72 45.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.651 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -66.11 168.52 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.598 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.551 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.627 ' HG ' ' H ' ' B' ' 5' ' ' GLU . 87.6 p -149.95 167.51 26.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.581 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -59.11 -34.9 72.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.521 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -74.44 -48.93 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.219 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.627 ' H ' ' HG ' ' B' ' 2' ' ' SER . 97.1 mt-10 -55.86 -53.19 59.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.69 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -64.96 -23.19 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.778 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.67 -52.54 38.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.643 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.8 mmm -68.31 -30.83 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.717 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -65.89 -29.37 69.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 58.3 m -76.86 -32.61 57.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.596 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.95 -53.47 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -58.87 -25.39 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.534 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.94 -37.26 84.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 95.3 t -85.39 -28.6 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.794 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.17 -62.96 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.889 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.535 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 3.2 p80 -61.42 -20.97 63.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.729 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.11 89.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.692 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -90.35 -21.22 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -63.03 -30.33 71.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.23 59.65 0.35 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -158.68 -81.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.699 0.285 . . . . 0.0 110.685 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.63 -43.57 8.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.517 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.477 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . -69.35 -168.69 6.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.533 ' OD2' ' N ' ' B' ' 25' ' ' LYS . 21.8 t70 -56.47 -120.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.579 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.533 ' N ' ' OD2' ' B' ' 24' ' ' ASP . 51.2 tttm -145.51 -36.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -109.15 -13.78 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.539 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -143.94 155.33 44.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.705 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -106.12 150.29 25.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -87.84 149.66 24.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.496 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.523 ' NZ ' ' O ' ' B' ' 68' ' ' GLU . 23.3 mtmm -68.63 -27.33 65.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.688 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -52.31 -38.75 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.21 -29.7 26.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.9 tp -51.7 -36.54 47.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -78.65 -25.38 44.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.711 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.36 -46.52 15.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 pp -74.98 -25.98 59.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.019 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mt -54.37 -53.57 52.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.326 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.482 ' O ' ' OG ' ' B' ' 42' ' ' SER . 42.8 mt-30 -69.42 -47.36 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.846 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 27.4 m -57.86 -45.53 86.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.46 -42.95 70.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.78 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.488 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 67.2 mt -86.29 -76.56 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.7 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 4.0 m 54.11 54.22 9.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.528 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.53 -49.72 0.02 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.473 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 46.2 m-85 -60.7 -25.29 66.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.734 0.302 . . . . 0.0 110.612 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.483 ' H ' ' CD2' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -82.94 -19.6 36.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.541 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -80.81 9.38 6.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.524 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -166.29 74.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.592 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -95.93 130.36 42.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.54 -77.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.636 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -74.26 134.47 42.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 p -88.95 -37.18 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.614 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.508 ' CG ' ' N ' ' B' ' 53' ' ' ALA . 16.7 p-10 -64.13 -56.1 17.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' B' ' 52' ' ' ASP . . . -53.69 -40.72 66.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 79.0 t -69.33 -23.47 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -78.55 -33.78 47.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.689 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -54.31 -64.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.504 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' B' ' 58' ' ' MET . 5.8 p -49.04 -37.75 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.658 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.41 ' N ' ' CG1' ' B' ' 57' ' ' VAL . 63.7 mtt -75.1 -34.1 61.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.643 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -57.24 -39.19 75.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.61 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.63 -41.02 72.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.477 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.37 -40.32 95.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.475 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.18 -41.69 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.67 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -67.52 -49.92 61.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.724 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -103.31 -110.7 0.24 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.72 18.69 56.07 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -56.64 -34.82 67.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.66 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.64 60.15 0.99 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.523 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 80.9 tt0 -168.37 113.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.75 0.309 . . . . 0.0 110.482 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.4 147.6 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.538 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.438 ' OD1' ' CD ' ' B' ' 73' ' ' GLU . 4.9 p-10 -92.09 -170.15 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.617 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -73.81 -46.05 47.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.752 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -62.83 -45.23 93.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.782 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.438 ' CD ' ' OD1' ' B' ' 70' ' ' ASP . 99.4 mt-10 -71.19 -18.45 62.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -81.87 -53.77 5.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 27.2 m -59.0 -45.11 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.054 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.37 -37.26 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.766 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.8 mt -69.72 -38.72 77.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.679 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.468 ' O ' ' OG1' ' B' ' 82' ' ' THR . 76.9 t -62.97 -26.82 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.589 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.66 -19.57 30.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.87 -64.82 0.82 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.322 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.438 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.07 -19.77 64.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.767 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 32.2 m -69.03 -51.34 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.685 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.38 -38.73 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.91 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 48.5 t -109.62 17.29 21.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.613 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -89.24 132.43 34.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.415 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 4.9 p30 -118.66 60.16 0.81 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -85.08 -69.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -93.47 -20.31 20.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.671 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -57.85 -104.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.578 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -73.89 143.72 45.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.643 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -66.06 168.47 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.599 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -76.51 166.76 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.622 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 7' ' ' ALA . 93.3 mt-10 -57.17 -25.18 58.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.415 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -52.49 -59.77 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.453 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -48.19 -45.29 33.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.724 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.0 -25.36 47.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -51.62 -33.98 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.451 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.6 mmm -85.06 -32.32 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.547 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.66 -29.29 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.2 m -69.55 -33.22 72.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.463 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -78.23 -52.16 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -55.46 -41.71 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.149 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 49.3 m-20 -60.91 -45.37 94.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.531 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.87 -37.09 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.468 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 18.3 t80 -53.14 -45.23 68.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.509 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -72.78 -22.11 60.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.519 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.91 -34.44 78.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.72 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -90.51 -33.16 16.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.64 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.8 p -61.93 -36.56 81.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.687 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.07 -36.04 84.95 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -59.32 -61.35 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -149.85 168.49 23.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.605 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.69 -171.14 52.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 27' ' ' LYS . 94.9 m-20 -67.1 146.63 54.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 110.499 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.51 -71.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.683 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -64.95 -44.71 88.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.614 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.487 ' O ' ' O ' ' A' ' 24' ' ' ASP . 51.1 mmtt -94.56 166.35 12.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.76 135.04 29.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.375 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.7 p -72.95 165.72 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -88.69 -1.58 58.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.627 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -79.15 -43.89 23.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.45 -25.93 66.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 33' ' ' LEU . 4.2 mm? -54.85 -57.65 10.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -55.61 -25.41 38.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.27 -52.21 7.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.288 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 pp -74.05 -33.13 63.59 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.269 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mt -50.76 -44.44 58.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.411 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -74.3 -39.02 63.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.0 m -70.6 -25.12 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.778 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -98.83 -50.38 4.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.6 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.0 mt -107.05 106.84 17.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.0 t -131.08 34.49 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.448 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.78 -45.11 0.13 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -59.08 -38.0 78.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.434 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' CD2' ' H ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.51 -3.04 31.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.395 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -87.9 -7.53 57.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.525 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.08 62.72 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -78.69 111.03 14.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -95.31 -51.12 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -73.08 -176.57 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.57 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -140.41 -53.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.321 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -52.43 -46.1 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.568 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.89 86.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.69 -26.08 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.573 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 51' ' ' VAL . 56.5 t0 -82.91 -36.08 25.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.651 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -57.2 -57.45 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.734 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.0 p -52.56 -36.5 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.633 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.1 mtt -70.56 -42.32 71.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -59.8 -26.22 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.686 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -50.68 -37.49 41.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.63 -41.68 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.591 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -68.64 -39.2 80.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.677 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.83 -90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -63.47 -81.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.39 12.61 84.39 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -165.13 9.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 0.0 110.619 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.59 -177.81 51.79 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -142.47 166.38 24.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 110.604 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.82 150.42 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.447 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 70' ' ' ASP . 5.6 p-10 -98.98 -56.63 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.592 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -167.64 -41.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -68.07 -51.26 48.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.794 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.475 ' OE1' ' OD1' ' A' ' 70' ' ' ASP . 55.3 mp0 -67.82 -18.85 64.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.404 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -74.49 -49.74 20.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.455 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.8 m -64.42 -25.98 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.737 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.88 -47.51 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 8.1 mp -62.74 -56.24 19.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.486 ' O ' ' OG1' ' A' ' 82' ' ' THR . 14.5 t -46.01 -39.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.5 -19.22 39.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -65.11 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.458 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.429 ' H ' ' CD2' ' A' ' 81' ' ' LEU . 1.6 pt? -68.65 -19.98 64.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.657 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 74.3 m -70.36 -61.81 1.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.935 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 p -56.88 -24.24 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.684 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.06 83.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 2.8 m -127.61 17.25 6.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.928 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 82' ' ' THR . 25.2 t-20 -66.4 -49.78 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.487 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 90' ' ' TRP . 48.2 t-20 41.2 61.23 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.625 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -72.51 -39.01 67.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.502 ' O ' ' N ' ' A' ' 91' ' ' GLU . 77.9 t80 -130.81 -21.8 2.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.681 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.459 ' O ' ' O ' ' A' ' 91' ' ' GLU . 51.9 m95 -48.43 89.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.576 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 89' ' ' PHE . 89.4 mt-10 55.97 115.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.9 -43.88 86.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.575 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -76.44 166.81 22.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 110.535 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' B' ' 7' ' ' ALA . 93.3 mt-10 -57.15 -25.15 58.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.489 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.417 ' C ' ' CD1' ' B' ' 4' ' ' LEU . 0.2 OUTLIER -52.57 -59.85 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.434 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -48.06 -45.4 32.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.727 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -25.23 48.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.759 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' B' ' 3' ' ' GLU . . . -51.74 -33.99 37.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 61.5 mmm -85.03 -32.3 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.595 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.59 -29.4 70.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.633 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.3 m -69.51 -33.33 72.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.403 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.2 mt -78.14 -52.26 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' B' ' 13' ' ' ASN . 0.2 OUTLIER -55.44 -41.63 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.226 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.436 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 49.3 m-20 -60.97 -45.36 95.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.441 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.92 -37.19 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.479 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' B' ' 15' ' ' PHE . 18.5 t80 -53.14 -45.12 68.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -72.81 -22.08 60.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.91 -34.51 78.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.693 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -90.42 -33.13 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.723 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.7 p -61.92 -36.62 81.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.666 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.07 -35.99 84.85 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -59.42 -61.19 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -150.04 168.57 23.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.46 -171.09 52.81 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.6 m-20 -67.02 146.63 54.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.553 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.51 -71.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.696 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -64.97 -44.71 88.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' B' ' 24' ' ' ASP . 51.1 mmtt -94.5 166.23 12.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.63 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.74 134.99 29.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.8 p -72.82 165.67 24.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -88.66 -1.62 58.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.667 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -79.08 -44.04 22.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.547 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.37 -25.93 66.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' B' ' 33' ' ' LEU . 4.2 mm? -54.87 -57.72 10.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.388 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -55.51 -25.55 37.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.993 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -81.15 -52.24 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.357 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 40' ' ' GLU . 3.0 pp -74.04 -33.03 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.275 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mt -50.88 -44.48 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.369 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -74.24 -39.07 63.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.665 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 24.0 m -70.54 -25.13 62.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.749 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' B' ' 36' ' ' LEU . 77.1 mm-40 -98.93 -50.36 4.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.596 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 48.9 mt -107.0 106.83 17.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.54 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.2 t -131.09 34.53 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.509 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.74 -45.18 0.13 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.12 -37.89 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.478 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.513 ' H ' ' CD2' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -75.59 -3.01 31.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.36 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -87.91 -7.43 57.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.12 62.64 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.481 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -78.69 110.96 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.56 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -95.26 -51.18 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -73.04 -176.57 2.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.573 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' B' ' 55' ' ' ASP . 0.4 OUTLIER -140.44 -53.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.287 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -52.53 -46.06 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.566 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.02 -41.79 86.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.62 -26.15 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' B' ' 51' ' ' VAL . 56.5 t0 -82.87 -36.17 25.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -57.18 -57.43 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 8.0 p -52.54 -36.65 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.517 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 65.0 mtt -70.48 -42.25 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.68 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.83 -26.25 65.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -50.59 -37.53 40.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.4 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 9.5 mp -65.53 -41.77 92.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.645 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -68.58 -39.27 81.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.694 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.82 -90.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -63.47 -81.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.592 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.5 12.47 84.5 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -165.08 9.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.547 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.63 -177.82 51.77 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -142.43 166.36 24.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.56 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.83 150.4 28.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.513 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 70' ' ' ASP . 5.6 p-10 -98.89 -56.67 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -167.67 -41.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -68.13 -51.26 48.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.775 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.467 ' OE1' ' OD1' ' B' ' 70' ' ' ASP . 55.3 mp0 -67.76 -18.91 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.989 0.424 . . . . 0.0 110.382 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -74.41 -49.72 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.9 m -64.45 -25.85 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.77 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.99 -47.48 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' B' ' 77' ' ' LEU . 8.0 mp -62.77 -56.27 19.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.551 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.484 ' O ' ' OG1' ' B' ' 82' ' ' THR . 14.5 t -46.04 -39.86 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.751 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.49 -19.36 38.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -65.05 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.564 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.425 ' CD2' ' H ' ' B' ' 81' ' ' LEU . 1.6 pt? -68.7 -20.0 64.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.661 -179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 75.5 m -70.35 -61.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.982 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 p -57.01 -24.31 20.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.652 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.13 83.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.798 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 2.9 m -127.55 17.25 6.98 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 82' ' ' THR . 25.4 t-20 -66.24 -49.96 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.509 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 90' ' ' TRP . 48.3 t-20 41.24 61.22 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.575 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -72.46 -38.93 68.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.665 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' B' ' 91' ' ' GLU . 77.9 t80 -130.86 -21.79 2.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.692 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.454 ' O ' ' O ' ' B' ' 91' ' ' GLU . 51.7 m95 -48.54 89.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.511 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' B' ' 89' ' ' PHE . 89.4 mt-10 56.0 115.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.662 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -58.05 -43.76 87.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.518 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -71.88 161.47 30.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.518 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.84 -21.64 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.9 tp -79.31 -31.02 43.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.706 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' B' ' 41' ' ' LEU . 81.9 mt-10 -65.4 -51.9 57.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -65.84 -20.72 66.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.585 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.98 -54.21 47.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.567 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mmt -64.74 -33.9 77.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.622 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.44 -31.38 70.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.1 m -78.35 -37.37 44.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.75 -45.91 87.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 tt -73.34 -22.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.43 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 56.4 t30 -57.33 -42.18 81.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.736 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 m -81.97 -34.54 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -56.61 -62.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.856 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 4.7 p80 -56.64 -31.4 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.523 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.619 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -64.37 -49.93 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.643 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -70.18 -45.91 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 m -59.14 -30.27 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.95 -25.47 23.83 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 22' ' ' GLU . 22.2 mtpp -64.83 170.55 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.615 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 21' ' ' LYS . 14.3 pt-20 -38.47 159.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.596 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.63 -171.41 37.91 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -71.32 118.51 14.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.508 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -72.48 -20.55 61.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -70.79 -45.57 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.612 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -110.94 163.0 14.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.67 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -129.41 138.27 51.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.38 174.64 3.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -99.56 -30.6 12.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -58.34 -45.71 87.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.671 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -66.82 -29.97 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.674 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.45 -46.07 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.691 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.41 -25.55 68.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -77.74 -51.69 10.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.975 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 40' ' ' GLU . 2.9 pp -71.27 -25.8 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.008 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.97 -39.86 91.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.469 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.49 -27.37 41.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.8 m -87.57 -27.14 22.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.877 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' LEU . 67.5 mm-40 -81.88 -50.17 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.826 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.483 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 9.9 mp -81.38 -63.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.891 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.486 ' O ' ' OG ' ' A' ' 42' ' ' SER . 8.8 t 43.37 31.84 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.448 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . -145.1 -62.89 0.02 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.572 ' C ' ' H ' ' A' ' 46' ' ' ASP . 24.3 m-85 -49.53 -46.18 48.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.648 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.466 ' C ' ' CD1' ' A' ' 45' ' ' LEU . 1.6 pp -58.13 0.37 0.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.572 ' H ' ' C ' ' A' ' 44' ' ' PHE . 16.4 t70 -87.69 3.43 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.66 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.32 76.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.658 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.93 89.27 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.438 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' NZ ' ' ND2' ' A' ' 87' ' ' ASN . 83.9 mttt -84.92 -68.56 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.649 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -56.29 127.53 31.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 52' ' ' ASP . 9.4 p -94.18 -40.67 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.436 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 95.5 m-20 -57.95 -44.92 87.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.604 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.15 -41.35 86.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.7 t -68.98 -26.02 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.653 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -76.7 -38.44 54.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -61.9 -57.78 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 58' ' ' MET . 8.7 p -57.39 -39.53 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.514 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.429 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 70.4 mmm -71.5 -39.49 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.455 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -63.5 -49.28 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -45.76 -27.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.236 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.08 -41.95 76.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.513 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -72.13 -34.74 68.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.727 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.01 -28.48 69.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.722 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.547 ' C ' ' H ' ' A' ' 66' ' ' ASP . 23.9 m-80 -145.97 51.76 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.64 7.05 1.11 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 64' ' ' ASN . 52.5 t0 -149.72 84.44 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.583 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.07 -152.09 7.8 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -144.91 167.47 22.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.792 0.33 . . . . 0.0 110.536 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -141.05 155.15 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -97.18 -167.44 1.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.85 -51.68 60.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.652 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.92 -40.14 92.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.696 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.16 -18.24 60.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.387 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -84.15 -46.52 11.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.682 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.4 m -69.03 -41.04 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.27 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 77' ' ' LEU . 9.8 p -56.97 -40.86 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.863 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.42 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 72.5 mt -59.98 -44.71 94.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.642 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.1 t -67.52 -34.49 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.576 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.01 -26.3 68.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.02 -64.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -50.18 -21.89 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.812 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' ASN . 19.3 m -78.15 -57.89 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.628 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.7 t -56.7 -24.43 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.802 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.81 -49.3 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.1 m -97.59 -5.09 36.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.87 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' THR . 23.3 t-20 -51.91 -44.98 64.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.55 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.487 ' OD1' ' O ' ' A' ' 90' ' ' TRP . 59.2 t-20 51.36 52.94 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.495 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -75.14 -71.36 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 91' ' ' GLU . 79.3 t80 -92.26 -37.47 12.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.756 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.487 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 13.0 m95 -58.14 81.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 89' ' ' PHE . 83.9 tt0 -97.28 107.67 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.547 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -62.21 -36.04 80.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.559 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.537 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -72.02 161.45 30.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.592 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -59.64 -21.7 60.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.706 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.8 tp -79.32 -30.95 43.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.483 ' OE2' ' O ' ' A' ' 41' ' ' LEU . 82.0 mt-10 -65.53 -51.8 57.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.563 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.6 t -65.88 -20.82 66.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.92 -54.26 46.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mmt -64.7 -33.89 77.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.609 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.61 -31.32 70.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.8 m -78.29 -37.36 45.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.75 -45.86 87.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.708 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 tt -73.38 -22.07 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.712 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.428 ' O ' ' NE2' ' B' ' 16' ' ' HIS . 56.4 t30 -57.34 -42.18 81.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 m -82.0 -34.51 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.839 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -56.56 -63.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.792 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.637 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 4.7 p80 -56.52 -31.41 64.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.56 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.637 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -64.51 -49.89 69.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -70.24 -45.81 65.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.9 m -59.26 -30.17 68.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.99 -25.43 23.98 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' B' ' 22' ' ' GLU . 22.2 mtpp -64.85 170.7 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.629 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' B' ' 21' ' ' LYS . 14.3 pt-20 -38.65 159.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.627 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.75 -171.39 37.69 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -71.44 118.45 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.477 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -72.42 -20.59 61.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.683 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -70.71 -45.63 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -111.0 163.04 14.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tp -129.4 138.16 51.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.31 174.7 3.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.624 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -99.6 -30.61 12.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.581 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -58.45 -45.63 88.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -66.84 -29.98 70.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.602 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.56 -45.99 77.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.662 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.45 -25.54 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -77.73 -51.69 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 40' ' ' GLU . 2.8 pp -71.29 -25.83 62.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.979 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.97 -39.83 91.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.46 -27.45 41.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 25.3 m -87.35 -27.29 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.951 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 36' ' ' LEU . 67.6 mm-40 -81.86 -50.17 9.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.469 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 9.9 mp -81.39 -63.48 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.847 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' B' ' 42' ' ' SER . 8.7 t 43.31 31.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.443 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' B' ' 46' ' ' ASP . . . -145.11 -62.9 0.02 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.576 ' C ' ' H ' ' B' ' 46' ' ' ASP . 24.3 m-85 -49.51 -46.18 48.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.772 0.32 . . . . 0.0 110.56 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' B' ' 45' ' ' LEU . 1.6 pp -58.15 0.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.576 ' H ' ' C ' ' B' ' 44' ' ' PHE . 16.3 t70 -87.66 3.52 47.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.712 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.38 76.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.68 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.9 89.18 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.429 ' NZ ' ' ND2' ' B' ' 87' ' ' ASN . 83.9 mttt -84.84 -68.61 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.632 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -56.42 127.6 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' B' ' 52' ' ' ASP . 9.2 p -94.19 -40.66 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.436 ' N ' ' CG1' ' B' ' 51' ' ' VAL . 95.5 m-20 -57.89 -44.92 87.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.622 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.31 86.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 79.6 t -69.1 -25.91 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -76.68 -38.59 54.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.531 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -61.84 -57.81 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.749 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' B' ' 58' ' ' MET . 8.5 p -57.31 -39.59 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.536 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.436 ' N ' ' CG1' ' B' ' 57' ' ' VAL . 70.5 mmm -71.51 -39.48 70.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.483 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -63.45 -49.29 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -45.84 -26.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.202 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.06 -42.0 76.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.519 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -72.11 -34.75 68.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.01 -28.55 69.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.659 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.534 ' C ' ' H ' ' B' ' 66' ' ' ASP . 23.9 m-80 -145.91 51.78 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 7.1 1.12 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' B' ' 64' ' ' ASN . 52.4 t0 -149.76 84.46 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.557 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.03 -152.1 7.79 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -144.9 167.46 22.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.56 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -141.07 155.2 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -97.23 -167.46 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.495 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.79 -51.73 60.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.86 -40.28 92.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.661 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.01 -18.45 60.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.354 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -83.99 -46.52 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.759 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 31.3 m -69.03 -41.12 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.143 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' B' ' 77' ' ' LEU . 9.8 p -56.93 -40.94 75.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 110.855 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.425 ' N ' ' CG1' ' B' ' 76' ' ' VAL . 72.5 mt -59.79 -44.75 93.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.688 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.56 -34.41 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.685 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.99 -26.33 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.98 -64.45 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.367 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' B' ' 81' ' ' LEU . 0.0 OUTLIER -50.26 -21.87 1.54 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.846 179.698 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.451 ' O ' ' N ' ' B' ' 86' ' ' ASN . 19.5 m -78.06 -57.93 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 66.0 t -56.7 -24.5 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.79 -49.33 62.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.3 m -97.48 -5.24 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.924 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 82' ' ' THR . 23.2 t-20 -51.92 -44.83 64.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.585 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.487 ' OD1' ' O ' ' B' ' 90' ' ' TRP . 59.3 t-20 51.15 53.01 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -75.12 -71.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' B' ' 91' ' ' GLU . 79.5 t80 -92.33 -37.33 12.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.73 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.487 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 13.0 m95 -58.26 81.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.702 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' B' ' 89' ' ' PHE . 83.9 tt0 -97.42 107.64 20.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.516 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -62.21 -35.99 80.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.634 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.521 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -81.95 153.11 26.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 0.0 110.598 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.24 -26.51 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -66.18 -28.96 69.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.505 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -67.77 -59.11 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.731 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -64.91 -29.17 70.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.99 -48.96 21.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -34.51 78.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.399 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -66.14 -24.5 66.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.494 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.6 m -76.31 -33.45 59.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.05 -51.65 30.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.802 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 tt -62.61 -26.88 41.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.701 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -57.01 -39.3 74.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.738 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -83.73 -32.11 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.51 -62.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.701 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.538 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.6 p80 -58.55 -20.91 50.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.413 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -67.27 -45.44 76.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.706 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -90.15 -16.29 29.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.734 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 p -61.67 -28.25 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.599 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.68 -120.55 0.1 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 59.01 -121.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.704 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -76.98 45.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.648 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.75 -150.14 32.41 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 57.33 47.78 16.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.487 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -73.07 -11.16 60.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -92.61 -55.04 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.646 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -107.29 170.85 7.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.631 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -137.82 135.83 36.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.448 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -76.43 156.53 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.648 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -79.63 -30.27 41.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.709 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -56.18 -22.97 32.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -85.03 -35.86 21.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.743 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mt -54.12 -55.95 22.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.507 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -55.47 -25.37 36.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.661 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.31 -54.16 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.79 -25.75 63.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.099 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' LEU . 10.6 mt -57.38 -44.11 84.16 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.314 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -75.21 -46.21 35.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.9 m -64.84 -37.96 89.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.078 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -92.48 -50.37 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.867 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 tp -98.88 99.5 10.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.335 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -133.26 55.24 1.91 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.26 -36.25 0.2 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' C ' ' H ' ' A' ' 46' ' ' ASP . 77.1 m-85 -83.4 -43.49 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.736 0.303 . . . . 0.0 110.523 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' C ' ' CD1' ' A' ' 45' ' ' LEU . 1.6 pp -59.61 0.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.492 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.574 ' H ' ' C ' ' A' ' 44' ' ' PHE . 9.0 t70 -93.8 4.14 54.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.43 65.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.585 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -86.47 80.91 8.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.564 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.05 -40.87 71.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.612 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -83.19 137.13 34.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.547 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.6 -54.91 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.416 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -52.53 -44.47 65.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.73 99.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.83 -22.29 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.695 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.8 -34.96 64.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -59.73 -54.09 50.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.694 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.1 p -59.06 -39.31 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.753 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 58' ' ' MET . 11.3 tmm? -71.14 -40.44 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -61.39 -38.36 86.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.16 -35.82 27.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 65' ' ' GLY . 57.6 mt -63.23 -39.65 95.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.481 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.63 -39.99 95.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.52 -38.0 89.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -167.79 76.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.618 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -67.76 -32.69 78.49 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -91.44 12.66 19.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.333 . . . . 0.0 110.589 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.66 153.05 41.87 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -98.0 156.62 16.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.473 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.1 150.41 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.603 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -96.35 -172.79 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.04 -56.5 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -57.37 -44.67 84.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -67.9 -18.39 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.365 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -87.28 -64.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.3 m -43.92 -43.8 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 77' ' ' LEU . 8.8 p -58.56 -41.8 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.896 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.404 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 16.6 mt -62.66 -47.89 81.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.511 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.477 ' O ' ' OG1' ' A' ' 82' ' ' THR . 53.0 t -52.41 -27.53 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.39 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.62 -19.38 31.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.62 -64.63 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.431 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -64.5 -19.56 65.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.154 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 96.6 m -68.76 -53.84 19.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.677 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 82.4 t -61.13 -24.41 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.73 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.46 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' ASN . 2.7 m -94.49 -26.34 16.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.859 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' CYS . 4.0 t-20 -36.37 -55.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.708 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' ASN . 22.4 t-20 39.76 44.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.583 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -76.17 -61.29 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.707 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -78.43 -32.29 48.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -66.36 98.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 92' ' ' ASN . 95.6 mt-10 -94.4 0.45 55.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.411 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.431 ' O ' ' O ' ' A' ' 91' ' ' GLU . 78.3 m-20 46.59 -174.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.561 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.474 -179.9 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.702 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -81.9 153.08 26.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.17 -26.62 68.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.578 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.5 tp -66.09 -28.94 69.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -67.83 -59.09 3.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.736 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -64.95 -29.16 70.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.642 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.93 -48.95 21.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.491 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -34.49 77.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -66.18 -24.42 66.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 43.9 m -76.32 -33.43 59.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.662 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 mt -70.07 -51.65 30.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.752 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -62.62 -26.95 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.666 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -56.9 -39.27 74.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 71.8 t -83.83 -32.12 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.786 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -60.57 -62.51 1.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.672 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.538 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 3.5 p80 -58.55 -20.84 49.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.741 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.407 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -67.36 -45.35 76.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -90.21 -16.31 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.718 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.8 p -61.67 -28.27 69.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.635 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.59 -120.52 0.1 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 59.0 -121.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.737 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -76.98 45.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.77 -150.14 32.37 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 57.28 47.76 16.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.511 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -73.06 -11.13 60.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -92.59 -55.04 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.689 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -107.27 170.87 7.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.668 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tp -137.83 135.92 36.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.414 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 89.2 p -76.54 156.53 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -79.69 -30.16 40.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.687 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -56.26 -22.99 33.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.537 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -85.01 -35.87 21.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.745 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mt -54.18 -55.92 23.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.526 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -55.33 -25.46 34.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.741 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.27 -54.27 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.72 -25.71 63.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.074 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' B' ' 41' ' ' LEU . 10.6 mt -57.48 -44.06 84.6 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.261 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -75.14 -46.32 35.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.0 m -64.8 -38.04 89.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.952 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -92.47 -50.35 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.858 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' B' ' 37' ' ' LEU . 1.7 tp -98.86 99.36 10.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.395 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -133.27 55.43 1.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.488 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.31 -36.26 0.2 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.566 ' C ' ' H ' ' B' ' 46' ' ' ASP . 77.2 m-85 -83.44 -43.51 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.682 0.277 . . . . 0.0 110.422 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' B' ' 45' ' ' LEU . 1.6 pp -59.73 0.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.501 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.566 ' H ' ' C ' ' B' ' 44' ' ' PHE . 8.9 t70 -93.76 4.13 54.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.49 65.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -86.47 80.99 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.56 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.12 -40.92 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -83.2 137.09 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.641 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -54.83 6.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -52.58 -44.4 65.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.658 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.79 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.81 -22.38 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.645 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.72 -35.01 65.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.661 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -59.67 -54.03 51.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.825 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.09 -39.23 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.693 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.421 ' C ' ' SD ' ' B' ' 58' ' ' MET . 11.4 tmm? -71.29 -40.3 70.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.656 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -61.52 -38.31 86.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.21 -35.81 28.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' B' ' 65' ' ' GLY . 57.5 mt -63.11 -39.76 95.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -62.46 -40.08 95.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -64.51 -37.99 89.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.624 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -167.84 76.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.623 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -67.7 -32.67 78.7 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -91.46 12.73 19.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.312 . . . . 0.0 110.577 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.7 152.97 41.68 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -97.94 156.55 16.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.778 0.323 . . . . 0.0 110.496 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.14 150.42 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -96.31 -172.81 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.456 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -60.08 -56.47 21.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.532 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -57.33 -44.72 84.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.345 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.8 -18.55 64.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.355 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -87.1 -64.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.556 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -44.04 -43.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.014 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 77' ' ' LEU . 8.7 p -58.51 -41.83 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.823 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.416 ' N ' ' CG1' ' B' ' 76' ' ' VAL . 16.6 mt -62.71 -47.84 81.83 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.578 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.479 ' O ' ' OG1' ' B' ' 82' ' ' THR . 52.9 t -52.33 -27.63 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.385 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.59 -19.41 31.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.786 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.7 -64.56 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.197 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -64.42 -19.86 65.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.165 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 96.5 m -68.56 -53.78 20.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.746 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.21 -24.42 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.691 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.58 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' B' ' 86' ' ' ASN . 2.7 m -94.33 -26.34 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.914 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' B' ' 85' ' ' CYS . 4.0 t-20 -36.46 -55.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.686 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 39.73 44.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.521 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -76.24 -61.3 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.623 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -78.32 -32.41 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.67 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -66.34 98.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.664 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' B' ' 92' ' ' ASN . 95.7 mt-10 -94.22 0.3 55.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.485 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.431 ' O ' ' O ' ' B' ' 91' ' ' GLU . 78.3 m-20 46.7 -174.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.542 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.613 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -70.73 155.1 41.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.59 -24.82 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.687 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.9 tp -71.61 -32.05 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.39 -46.67 87.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.672 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.0 t -81.78 -20.99 38.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.599 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.99 -47.64 74.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.673 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.2 mmm -71.84 -29.73 64.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.683 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 75.5 mm-40 -65.22 -22.25 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.626 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.0 m -78.09 -45.74 22.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.06 -39.52 86.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.795 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.459 HD11 HG21 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.59 -37.25 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.327 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.8 m120 -64.06 -60.84 2.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -54.63 -30.37 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.752 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -61.66 -44.77 96.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -73.35 -31.31 63.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.57 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.43 -29.82 68.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.5 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -94.16 -56.04 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.49 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 10.6 t -61.51 -28.48 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.509 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.95 -19.09 0.49 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' SER . 20.8 ptmt -67.01 -167.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -65.86 -172.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.529 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.87 -159.07 51.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 27' ' ' LYS . 58.5 m-20 -69.06 104.04 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.329 . . . . 0.0 110.594 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' O ' ' OG ' ' A' ' 19' ' ' SER . 30.2 mtmm -71.83 -29.2 64.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -71.73 -32.98 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.752 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 40.1 mmtm -115.06 143.01 45.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.699 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.6 tp -98.31 140.02 33.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.39 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.6 p -79.37 165.85 22.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -89.2 -17.56 28.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.651 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -63.09 -59.63 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -64.19 -31.83 73.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.6 tp -48.71 -45.12 38.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -70.01 -25.4 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.79 -57.35 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.16 -31.17 71.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.074 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.44 ' C ' HE21 ' A' ' 38' ' ' GLN . 8.9 mt -52.62 -48.75 66.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.618 ' N ' HE21 ' A' ' 38' ' ' GLN . 3.5 mm-40 -73.34 -50.34 22.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.872 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.7 m -55.88 -41.42 74.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.696 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -79.0 -10.5 59.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.673 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 mt -129.19 -82.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.661 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' GLN . 25.8 t 56.84 49.49 14.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.98 -47.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.563 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 41.6 m-85 -58.74 -26.37 63.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.724 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' CD2' ' H ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -78.84 -12.35 60.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.652 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 58.1 t0 -87.57 7.45 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.693 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.0 63.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.482 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -94.93 112.81 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.686 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HZ3' HD21 ' A' ' 87' ' ' ASN . 62.0 mttp -93.95 -65.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 79.2 m-20 -61.11 154.79 22.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.503 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.36 -58.01 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.453 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 15.1 p-10 -50.54 -47.68 57.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.632 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.72 89.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 50' ' ' ASP . 75.1 t -66.73 -28.03 41.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -83.04 -20.12 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.326 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -57.29 -54.03 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.586 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.4 p -62.84 -38.94 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.574 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 31.1 tpp -63.93 -34.77 78.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -58.61 -43.04 89.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.87 -40.25 75.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.39 -42.83 87.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.34 -33.15 72.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -48.53 -33.83 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.466 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 1.7 p30 -161.68 -62.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.649 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.466 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . 85.17 11.78 75.13 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.44 18.28 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.26 -160.9 34.78 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -135.69 159.22 42.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.349 . . . . 0.0 110.453 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.08 147.47 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.499 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -89.69 -157.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.561 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -87.32 -56.13 3.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.698 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -58.11 -44.27 87.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.75 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.571 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 40.5 mp0 -71.07 -27.26 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.318 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -68.55 -56.96 6.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.387 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.5 m -51.91 -31.02 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.584 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.49 ' CG2' ' CG2' ' B' ' 76' ' ' VAL . 47.6 t -64.18 -43.09 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.404 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.2 mt -65.72 -40.41 92.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.26 -29.06 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.683 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.0 -19.4 30.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.773 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.7 -64.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.444 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -60.54 -19.76 58.21 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.911 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.5 m -73.2 -50.52 22.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.685 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.17 -38.65 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.24 -38.13 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.618 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.563 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 38.2 m -91.9 -33.4 14.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.553 ' ND2' ' CD1' ' A' ' 88' ' ' PHE . 13.9 t-20 -44.74 140.43 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.486 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.426 HD21 ' HZ3' ' A' ' 49' ' ' LYS . 52.1 p30 -150.27 50.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.625 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.553 ' CD1' ' ND2' ' A' ' 86' ' ' ASN . 9.2 m-85 -72.87 -39.36 66.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.593 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -115.74 -31.11 5.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.771 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -56.04 -29.14 59.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.516 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.526 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 25.3 tt0 45.07 -98.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.489 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 91' ' ' GLU . 30.7 m120 -162.01 45.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.623 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.609 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.8 m -70.79 155.21 41.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.772 0.32 . . . . 0.0 110.572 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.65 -24.82 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 45.8 tp -71.62 -32.05 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.73 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.38 -46.6 87.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.747 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -81.78 -20.92 38.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.666 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.65 74.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.666 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.2 mmm -71.81 -29.85 64.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.623 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 75.4 mm-40 -65.24 -22.12 66.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 23.0 m -78.2 -45.73 22.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.7 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.9 mt -67.04 -39.57 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.748 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.415 HD11 HG21 ' B' ' 12' ' ' ILE . 0.3 OUTLIER -68.58 -37.31 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.356 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 1.8 m120 -63.9 -60.81 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -54.74 -30.3 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -61.65 -44.78 96.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.546 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -73.31 -31.32 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.588 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.41 -29.8 68.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.536 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -94.18 -56.14 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 10.5 t -61.44 -28.46 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.556 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.99 -19.1 0.5 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' B' ' 19' ' ' SER . 20.8 ptmt -66.9 -167.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 0.0 110.602 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -65.83 -172.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.507 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.82 -159.08 51.16 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 27' ' ' LYS . 58.6 m-20 -69.14 104.18 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.53 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.493 ' O ' ' OG ' ' B' ' 19' ' ' SER . 30.3 mtmm -71.88 -29.26 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -71.68 -33.07 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' B' ' 24' ' ' ASP . 40.2 mmtm -115.06 143.08 45.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.733 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.4 tp -98.26 139.97 33.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.486 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.3 p -79.38 165.8 22.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -89.09 -17.63 28.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.684 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -63.08 -59.66 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -64.19 -31.85 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.529 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 44.6 tp -48.61 -45.27 37.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -69.84 -25.51 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.81 -57.3 3.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.047 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.15 -31.16 71.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.088 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.433 ' C ' HE21 ' B' ' 38' ' ' GLN . 8.9 mt -52.74 -48.64 66.57 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.436 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.619 ' N ' HE21 ' B' ' 38' ' ' GLN . 3.5 mm-40 -73.25 -50.45 22.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.846 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.1 m -55.92 -41.28 74.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.71 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -79.16 -10.45 59.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.3 mt -129.26 -82.84 0.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.485 ' N ' ' O ' ' B' ' 38' ' ' GLN . 25.9 t 56.92 49.44 14.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.591 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.95 -47.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.562 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 41.6 m-85 -58.71 -26.45 63.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.717 0.294 . . . . 0.0 110.649 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.484 ' H ' ' CD2' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -78.81 -12.31 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.617 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 58.1 t0 -87.58 7.39 29.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.692 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.99 63.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -94.97 112.76 24.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.707 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.439 ' HZ3' HD21 ' B' ' 87' ' ' ASN . 62.1 mttp -93.85 -65.06 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.526 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 79.2 m-20 -61.11 154.85 21.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.541 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.39 -58.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.343 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' B' ' 52' ' ' ASP . 15.3 p-10 -50.56 -47.69 57.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.694 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.87 89.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' B' ' 50' ' ' ASP . 76.2 t -66.7 -27.99 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -82.91 -20.21 35.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -57.32 -53.97 52.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.539 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 13.4 p -62.89 -38.89 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 30.9 tpp -63.85 -34.87 78.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -58.63 -43.0 89.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.88 -40.13 75.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.598 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.46 -42.87 86.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -69.3 -33.12 72.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.584 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -48.69 -33.76 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.572 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.458 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 1.7 p30 -161.6 -62.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.65 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.458 ' H ' ' CG ' ' B' ' 64' ' ' ASN . . . 85.16 11.74 75.28 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.34 18.2 1.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.528 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.25 -160.78 34.61 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -135.76 159.19 42.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.799 0.333 . . . . 0.0 110.389 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -137.14 147.39 26.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.504 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -89.64 -157.83 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.66 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -87.23 -56.24 3.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.695 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -58.04 -44.3 87.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.573 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 40.5 mp0 -70.96 -27.2 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.472 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -68.64 -56.96 6.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.326 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.5 m -51.94 -31.0 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.49 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 47.7 t -64.11 -43.14 97.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.63 -40.4 92.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.544 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.31 -29.23 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.74 -19.49 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.799 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.86 -64.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.339 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -60.54 -19.9 58.68 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.889 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -73.15 -50.58 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.695 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.09 -38.65 82.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.74 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.18 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 38.3 m -91.93 -33.5 14.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.562 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.556 ' ND2' ' CD1' ' B' ' 88' ' ' PHE . 13.8 t-20 -44.66 140.37 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.525 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.439 HD21 ' HZ3' ' B' ' 49' ' ' LYS . 52.1 p30 -150.21 50.69 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.593 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.556 ' CD1' ' ND2' ' B' ' 86' ' ' ASN . 9.3 m-85 -72.9 -39.21 66.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.682 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -115.77 -31.11 5.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.756 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -56.03 -29.1 59.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.536 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.528 ' O ' ' ND2' ' B' ' 92' ' ' ASN . 25.2 tt0 45.05 -98.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.434 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' B' ' 91' ' ' GLU . 30.6 m120 -162.0 45.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.596 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.609 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 m -92.42 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 52.6 mp0 -62.55 -23.52 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.554 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.06 -43.36 58.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.33 -53.72 55.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.7 t -63.73 -21.79 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.682 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.59 -46.92 67.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.557 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.7 mmm -70.37 -30.9 67.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.503 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 73.9 mm-40 -67.88 -21.6 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.663 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.6 m -80.56 -33.47 36.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.709 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.61 -45.32 59.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.787 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 tt -66.41 -22.58 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 93.3 m-20 -61.8 -40.85 96.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.3 m -83.26 -24.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.8 -62.86 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.669 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 3.5 p80 -59.8 -33.63 71.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.641 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.669 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -59.57 -44.43 93.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.694 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -80.14 -35.08 37.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.716 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 p -65.69 -26.28 67.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.54 -24.74 48.05 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 22' ' ' GLU . 14.1 ptpt -139.14 173.12 11.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 110.601 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 21' ' ' LYS . 92.0 mt-10 57.54 120.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.54 -144.08 36.54 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 63.5 t0 -67.86 138.3 55.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 16.5 pttp -84.02 36.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -149.27 -44.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -126.45 153.54 44.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.54 151.39 21.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' H ' ' A' ' 68' ' ' GLU . 59.6 p -86.9 158.8 19.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.645 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.36 -33.53 74.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -57.92 -56.23 24.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.49 ' NE2' ' OE1' ' A' ' 35' ' ' GLU . 24.8 mm100 -57.89 -27.6 63.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.681 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 tt -53.07 -36.56 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.556 ' HZ2' ' CD1' ' A' ' 61' ' ' LEU . 22.2 mtpp -76.86 -25.28 52.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.49 ' OE1' ' NE2' ' A' ' 32' ' ' GLN . 50.6 tt0 -76.68 -47.04 23.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.33 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 pp -72.35 -28.32 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.316 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mt -51.99 -62.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.43 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -64.22 -44.78 90.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 4.1 m -56.74 -45.7 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.835 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -71.7 -47.13 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.749 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 7.4 mp -82.22 -105.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.753 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 2.4 p 80.49 36.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.58 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.89 -56.21 0.03 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.62 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 59.5 m-85 -57.12 -48.53 78.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 110.551 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.15 -21.38 65.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.629 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.52 2.79 46.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.23 29.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.88 140.05 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -89.76 -72.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -80.43 131.71 35.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.75 -42.93 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.432 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.565 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 34.3 p-10 -53.35 -38.18 63.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.688 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.565 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.62 -44.05 91.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.88 -27.16 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -83.0 -20.14 35.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.438 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -58.46 -59.26 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.451 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.92 -34.75 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.558 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.0 ttt -56.19 -37.91 70.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -62.01 -38.27 88.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.04 -41.79 75.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.634 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.556 ' CD1' ' HZ2' ' A' ' 34' ' ' LYS . 73.2 mt -69.27 -34.08 74.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.625 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.12 -44.6 94.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.571 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -75.34 -45.05 41.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -96.03 34.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.683 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.04 43.56 2.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -87.45 -81.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 110.669 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 168.72 174.45 37.38 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' A' ' 67' ' ' GLY . 98.6 mt-10 56.13 119.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 0.0 110.573 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.0 145.56 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.651 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 42.0 t0 -87.6 150.26 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.438 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.447 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 71.1 t80 -50.73 -44.57 58.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.22 -50.59 72.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.662 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -64.23 -18.48 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.415 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -83.77 -63.79 1.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.623 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.9 m -49.83 -45.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.942 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 77' ' ' LEU . 6.0 p -59.26 -39.54 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.729 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.43 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 3.8 tp -65.08 -35.54 81.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.468 ' O ' ' OG1' ' A' ' 82' ' ' THR . 92.4 t -64.31 -27.39 42.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.511 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.0 -19.59 30.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.21 -64.96 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.166 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.458 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.15 -19.81 64.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.827 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.533 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 45.7 m -69.97 -40.16 75.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.595 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.78 -37.73 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.645 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.31 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.62 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 27.2 p -98.48 -14.68 19.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -51.09 135.3 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.543 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -142.56 35.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.552 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 43.5 m-85 -79.85 -6.81 58.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.429 ' C ' ' H ' ' A' ' 91' ' ' GLU . 74.3 m-85 -154.42 -25.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -79.19 25.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.68 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 89' ' ' PHE . 36.0 tt0 -57.96 -35.65 71.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.616 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.405 ' N ' HD21 ' A' ' 92' ' ' ASN . 2.5 m120 -93.99 157.25 16.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.3 p . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.535 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m -92.34 162.77 14.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.415 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 52.6 mp0 -62.6 -23.47 67.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.1 -43.32 58.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.423 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.29 -53.75 54.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.707 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 14.7 t -63.66 -21.89 66.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.663 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.59 -46.97 67.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -70.28 -30.94 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.469 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 74.0 mm-40 -67.89 -21.56 65.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.666 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.7 m -80.65 -33.4 35.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.65 -45.39 59.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.749 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 tt -66.4 -22.5 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.689 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 93.5 m-20 -61.87 -40.79 96.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.3 m -83.13 -24.26 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -69.76 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.725 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.673 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 3.5 p80 -59.84 -33.64 72.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.673 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.52 -44.49 93.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -80.17 -35.05 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.0 p -65.67 -26.28 67.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.606 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.64 -24.71 48.71 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 22' ' ' GLU . 14.2 ptpt -139.1 173.08 11.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.637 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' B' ' 21' ' ' LYS . 91.8 mt-10 57.57 120.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.48 -144.03 36.55 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 63.5 t0 -67.85 138.43 56.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.555 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.418 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 16.5 pttp -84.14 36.08 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.514 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -149.19 -44.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.637 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -126.38 153.59 44.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.51 151.48 21.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.5 p -87.0 158.74 19.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.33 -33.52 74.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.773 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -57.9 -56.15 25.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.494 ' NE2' ' OE1' ' B' ' 35' ' ' GLU . 24.8 mm100 -58.05 -27.48 63.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.56 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 tt -53.12 -36.66 61.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.565 ' HZ2' ' CD1' ' B' ' 61' ' ' LEU . 22.2 mtpp -76.79 -25.3 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.494 ' OE1' ' NE2' ' B' ' 32' ' ' GLN . 50.6 tt0 -76.65 -47.01 23.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.371 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 pp -72.48 -28.12 62.71 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.305 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -52.16 -62.01 1.9 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.363 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -64.29 -44.7 90.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 4.1 m -56.71 -45.82 81.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.832 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -71.63 -47.08 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.504 ' N ' ' CD1' ' B' ' 41' ' ' LEU . 7.3 mp -82.21 -105.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.72 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 2.4 p 80.44 36.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.01 -56.21 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.622 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 59.4 m-85 -56.95 -48.66 77.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.516 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.18 -21.33 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.665 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.48 2.75 46.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.561 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.2 29.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.9 140.04 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.635 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -89.71 -72.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -80.43 131.8 35.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.78 -42.99 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.409 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 34.6 p-10 -53.31 -38.18 62.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.692 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.572 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -64.6 -44.07 91.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.85 -27.25 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.519 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -82.83 -20.28 35.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -58.45 -59.23 5.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.383 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 8.6 p -61.91 -34.71 64.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.0 ttt -56.17 -37.91 70.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -62.06 -38.28 88.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.623 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.04 -41.71 75.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.627 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.565 ' CD1' ' HZ2' ' B' ' 34' ' ' LYS . 73.6 mt -69.3 -34.16 74.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.65 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -59.98 -44.59 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.39 -44.95 42.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.626 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -96.07 34.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.658 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.02 43.58 2.48 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -87.55 -81.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 168.72 174.44 37.38 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' B' ' 67' ' ' GLY . 98.6 mt-10 56.13 119.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.792 0.329 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.96 145.57 35.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 42.1 t0 -87.61 150.28 23.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.453 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 70.8 t80 -50.67 -44.67 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.653 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -61.13 -50.6 72.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.71 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -64.23 -18.56 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.406 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -83.69 -63.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.604 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 35.9 m -49.71 -45.73 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.933 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' B' ' 77' ' ' LEU . 6.0 p -59.24 -39.66 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.593 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.439 ' N ' ' CG1' ' B' ' 76' ' ' VAL . 3.8 tp -65.02 -35.56 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.702 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.464 ' O ' ' OG1' ' B' ' 82' ' ' THR . 93.1 t -64.29 -27.44 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.517 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.59 30.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.33 -64.76 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.214 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.17 -19.96 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.838 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.527 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 46.5 m -69.93 -40.16 75.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.621 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 76.7 t -65.66 -37.8 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.706 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.34 -30.34 69.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.622 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 27.1 p -98.46 -14.68 19.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -51.06 135.35 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.542 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -142.61 35.61 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.548 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 43.5 m-85 -79.95 -6.71 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.447 ' C ' ' H ' ' B' ' 91' ' ' GLU . 74.8 m-85 -154.46 -25.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -79.22 25.42 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.62 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.447 ' H ' ' C ' ' B' ' 89' ' ' PHE . 36.0 tt0 -57.98 -35.69 71.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.552 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.406 ' N ' HD21 ' B' ' 92' ' ' ASN . 2.5 m120 -93.9 157.27 16.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.541 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -141.92 163.85 31.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.462 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.38 -29.57 70.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.702 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.9 tp -70.35 -32.05 69.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.588 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.36 -48.35 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.759 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -77.53 -21.43 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.506 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.78 -43.31 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.5 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.8 mmm -73.22 -32.3 64.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.429 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -65.42 -23.61 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.3 m -75.02 -40.8 60.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.656 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.87 -46.59 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -61.99 -42.42 94.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.282 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.452 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 55.2 t30 -57.69 -45.86 85.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.646 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -72.0 -35.87 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -51.16 -53.17 37.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.611 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.4 p80 -73.84 -22.18 59.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.707 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.478 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -62.85 -33.21 74.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.762 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -88.96 -35.96 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.33 -36.04 79.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.667 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.16 76.96 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -68.73 -109.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.668 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -90.79 167.26 12.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . 87.98 -155.29 26.36 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 23' ' ' GLY . 14.3 m-20 -58.34 -130.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.49 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -145.11 -40.7 0.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.474 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -114.65 -6.91 12.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.32 154.87 37.05 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tp -121.63 142.72 49.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.498 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -98.37 167.93 10.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.755 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.12 -34.83 71.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.41 -30.55 62.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.71 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -78.67 -34.91 45.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -54.19 -53.91 47.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.46 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -53.95 -25.62 21.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.17 -57.65 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.309 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.65 -32.93 74.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.172 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -50.67 -48.35 58.45 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.534 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' O ' ' OG ' ' A' ' 42' ' ' SER . 75.8 mt-30 -72.36 -52.84 14.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -56.47 -34.46 66.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.832 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -82.4 -44.5 16.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.884 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -89.74 -85.48 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.492 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 3.5 m 56.82 33.52 23.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.329 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.2 -50.65 0.05 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -64.27 -48.88 74.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.561 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.39 -14.25 61.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 42' ' ' SER . 7.3 m-20 -85.21 1.05 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.85 37.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -74.66 131.04 40.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -93.75 -44.33 8.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -77.04 131.9 38.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.19 -40.22 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.682 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -65.15 -43.78 90.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.84 98.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.631 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.81 -29.58 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -75.95 -41.43 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -59.61 -54.85 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.592 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -57.4 -39.78 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.693 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.1 tpp -73.4 -35.9 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -63.92 -37.48 87.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -53.86 -36.66 62.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.657 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 65' ' ' GLY . 12.3 mt -73.75 -39.29 64.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.564 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -67.04 -41.35 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.27 -36.57 84.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' ASP . 2.8 m120 -90.75 -69.54 0.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.56 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 40.78 25.09 0.1 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ASN . 64.1 m-20 -157.15 89.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.51 153.99 6.02 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.42 ' N ' ' OE1' ' A' ' 68' ' ' GLU . 43.9 mp0 -86.98 -175.79 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.49 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.62 150.76 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.4 t70 -100.0 178.46 4.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.539 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.488 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 67.1 t80 -55.24 -55.06 35.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -58.68 -45.43 89.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.639 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.544 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 17.9 mp0 -70.39 -18.61 63.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.019 0.438 . . . . 0.0 110.413 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.69 -60.99 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.6 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 m -47.81 -47.44 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.963 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 77' ' ' LEU . 11.4 p -54.76 -45.35 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.896 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.449 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 71.3 mt -59.2 -37.92 78.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.737 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.469 ' O ' ' OG1' ' A' ' 82' ' ' THR . 73.4 t -67.09 -29.1 45.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.76 -19.48 30.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.42 -64.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.176 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -64.02 -19.81 65.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.949 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 74.8 m -68.55 -50.62 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.653 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.46 -28.68 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.684 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.84 90.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.78 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.8 t -96.69 -36.66 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.795 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -42.32 -54.07 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.687 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 43.73 57.23 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.537 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -66.51 -75.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.712 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.444 ' C ' ' H ' ' A' ' 91' ' ' GLU . 85.9 t80 -99.16 -8.53 25.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.68 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -71.59 46.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.611 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' A' ' 89' ' ' PHE . 95.9 mt-10 -83.84 151.2 25.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -140.75 177.75 7.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.466 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.8 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.585 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -141.99 163.8 31.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.482 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.48 -29.43 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.689 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 42.7 tp -70.33 -32.08 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.581 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.38 -48.35 70.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.756 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -77.46 -21.48 52.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.626 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.35 62.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.505 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 50.7 mmm -73.2 -32.32 64.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -65.42 -23.61 66.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 24.2 m -75.02 -40.81 60.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.669 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -70.98 -46.48 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.651 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' B' ' 13' ' ' ASN . 0.2 OUTLIER -61.92 -42.47 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.46 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 55.3 t30 -57.65 -45.87 84.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.677 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 69.8 t -72.0 -35.85 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.708 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -51.19 -53.05 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.7 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.535 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 3.3 p80 -73.98 -22.05 59.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.703 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.48 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -62.83 -33.28 74.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -89.01 -35.96 16.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.639 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.31 -36.05 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.11 -30.17 77.0 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -68.63 -109.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.621 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -90.82 167.25 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.582 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . 88.03 -155.29 26.3 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' B' ' 23' ' ' GLY . 14.3 m-20 -58.38 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.473 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -145.11 -40.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -114.55 -6.94 12.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.497 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.36 154.78 37.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 tp -121.59 142.72 49.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -98.3 167.92 10.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.792 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.13 -34.88 71.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.34 -30.59 62.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -78.68 -34.91 45.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.817 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -54.17 -53.85 47.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.545 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -54.05 -25.53 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.23 -57.54 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.321 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.84 -32.82 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.166 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -50.64 -48.35 58.17 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.597 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.482 ' O ' ' OG ' ' B' ' 42' ' ' SER . 75.8 mt-30 -72.3 -52.94 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.4 m -56.45 -34.49 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.868 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -82.41 -44.45 16.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -89.73 -85.39 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.914 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 3.5 m 56.74 33.61 23.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.332 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.29 -50.63 0.05 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -64.34 -48.9 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.482 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.35 -14.32 61.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' B' ' 42' ' ' SER . 7.3 m-20 -85.17 1.05 49.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.538 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.83 37.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.5 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -74.71 130.95 40.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -93.7 -44.29 8.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -77.03 131.88 38.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.32 -40.07 7.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -65.25 -43.71 90.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.634 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.63 98.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.664 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.9 t -68.04 -29.48 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.612 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -75.96 -41.46 51.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -59.57 -54.82 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.584 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -57.42 -39.69 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.779 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.0 tpp -73.43 -35.92 65.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -63.96 -37.45 87.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.595 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -53.93 -36.53 62.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 65' ' ' GLY . 12.3 mt -73.85 -39.3 64.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -66.95 -41.36 87.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.39 -36.39 83.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' B' ' 66' ' ' ASP . 2.8 m120 -90.82 -69.47 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . 40.67 25.17 0.09 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' B' ' 64' ' ' ASN . 64.3 m-20 -157.16 89.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.57 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.38 154.01 6.02 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' B' ' 68' ' ' GLU . 43.9 mp0 -86.95 -175.77 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.467 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.7 150.69 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.475 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.3 t70 -99.91 178.51 4.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.475 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 66.8 t80 -55.28 -55.09 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -58.74 -45.31 89.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.733 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 17.8 mp0 -70.44 -18.69 63.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.957 0.408 . . . . 0.0 110.359 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.65 -61.01 1.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 m -47.76 -47.54 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.861 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' B' ' 77' ' ' LEU . 11.4 p -54.69 -45.34 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.932 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.453 ' N ' ' CG1' ' B' ' 76' ' ' VAL . 71.0 mt -59.24 -37.88 78.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.746 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' B' ' 82' ' ' THR . 72.5 t -67.16 -29.1 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.628 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.67 -19.53 30.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.55 -64.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.124 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -64.02 -20.01 65.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.958 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 72.6 m -68.34 -50.74 51.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.675 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 76.7 t -59.42 -28.71 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.722 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.87 90.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.8 t -96.73 -36.58 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -42.43 -53.92 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.666 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 43.61 57.26 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -66.45 -76.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.66 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.441 ' C ' ' H ' ' B' ' 91' ' ' GLU . 85.7 t80 -99.15 -8.5 25.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.588 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -71.67 46.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.58 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' B' ' 89' ' ' PHE . 95.8 mt-10 -83.82 151.17 25.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -140.8 177.66 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.56 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 72.3 m . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.585 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.736 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -82.75 152.73 25.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.742 0.306 . . . . 0.0 110.585 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 55.2 mp0 -57.96 -23.14 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.464 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tt -76.74 -42.81 39.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.96 -51.91 67.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -65.69 -22.22 66.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.594 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.22 -46.46 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.367 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.5 mmm -69.9 -30.27 67.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.324 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -68.86 -26.54 65.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -78.31 -34.21 48.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.85 -49.46 58.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.16 -22.61 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.577 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -55.74 -40.86 73.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.1 t -84.05 -32.71 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.699 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -57.26 -58.84 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.725 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.534 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.7 p80 -62.41 -21.24 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -67.99 -49.05 63.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.666 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -77.4 -49.39 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.0 p -58.57 -27.85 65.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.503 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.93 -11.75 82.19 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -97.56 -51.35 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.624 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -139.4 154.27 47.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.514 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.39 -175.86 54.54 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' O ' ' A' ' 27' ' ' LYS . 94.0 m-20 -67.89 138.45 56.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 110.485 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -64.57 -44.43 90.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.35 -55.18 11.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' A' ' 24' ' ' ASP . 20.6 mmtm -104.7 146.15 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.563 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 tp -101.56 131.23 47.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.446 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -66.67 139.15 57.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.644 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -62.27 -23.51 66.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.464 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -56.38 -37.53 70.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.527 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -71.05 -36.65 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -49.8 -21.32 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.518 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -68.35 -63.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.4 -42.84 61.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.791 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 tp -44.3 -54.04 6.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.413 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -43.77 -65.66 0.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.765 -179.455 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.486 ' O ' ' OG ' ' A' ' 42' ' ' SER . 25.3 mt-30 -65.05 -50.82 64.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.93 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.9 m -44.72 -46.59 10.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -91.43 -50.54 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.219 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 37' ' ' LEU . 4.4 mp -103.93 99.87 9.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -120.49 40.76 3.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.867 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.71 -48.08 0.06 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -57.81 -21.68 43.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.638 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' C ' ' CD1' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -96.9 3.88 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 57.1 t0 -103.7 4.65 35.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -151.83 33.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.599 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.551 ' CD ' ' H ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -43.04 94.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' ALA . 21.1 tptp -60.0 -41.24 91.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.469 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -98.52 -141.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 52' ' ' ASP . 10.8 p -168.83 -46.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.435 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 85.9 m-20 -65.86 -37.79 87.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.614 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -33.53 67.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.6 t -69.12 -42.02 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.569 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -71.61 -20.15 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.373 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -57.35 -57.84 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -55.42 -34.02 33.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttm -65.51 -35.43 80.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.629 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.25 -38.54 91.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -50.72 -41.63 56.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.604 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 8.8 mp -65.41 -38.66 90.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -70.24 -31.43 68.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -59.96 -24.95 64.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.578 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -142.93 -72.54 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.06 0.41 69.96 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -151.39 72.23 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 0.0 110.526 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.34 -155.94 7.55 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.11 171.34 14.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.11 -162.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.475 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -144.44 175.89 9.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -58.03 -34.97 70.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.71 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -73.14 -39.05 66.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -78.49 -27.81 46.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -66.86 -40.18 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.333 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.1 m -71.67 -29.04 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.37 -53.56 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.402 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.85 -33.45 73.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.9 t -68.41 -38.58 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.24 -19.86 52.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.712 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.39 -54.21 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.71 -25.13 68.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -75.39 -49.73 18.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.97 -36.9 75.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.604 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.33 -35.23 62.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.687 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.0 -46.76 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.665 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -55.44 140.5 39.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.632 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 91' ' ' GLU . 1.9 p-10 -144.67 36.63 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.53 -48.97 79.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -72.54 -43.23 63.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -76.94 -146.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.599 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.568 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 49.8 mt-10 -52.62 125.51 16.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.444 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 93' ' ' SER . 44.6 p-10 -85.51 19.21 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.581 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 92' ' ' ASN . 28.9 t . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -82.76 152.7 25.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.484 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 55.5 mp0 -58.01 -23.08 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.497 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tt -76.75 -42.88 39.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.91 -51.92 67.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -65.77 -22.18 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.534 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.28 -46.3 69.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.431 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 77.6 mmm -70.06 -30.06 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.38 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -69.01 -26.48 65.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.687 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -78.28 -34.23 49.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.67 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.88 -49.52 57.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.755 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.06 -22.64 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.633 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -55.75 -40.86 73.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.663 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 83.1 t -84.09 -32.68 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -57.32 -58.87 6.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.537 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 3.8 p80 -62.49 -21.06 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.686 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.448 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -67.99 -49.07 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -77.4 -49.43 14.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.681 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.4 p -58.48 -27.81 64.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.02 -11.81 81.98 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -97.53 -51.27 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.712 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -139.37 154.32 47.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.41 -175.85 54.56 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.0 m-20 -67.91 138.51 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.395 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -64.65 -44.43 90.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.794 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.29 -55.23 11.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' B' ' 24' ' ' ASP . 20.5 mmtm -104.66 146.14 29.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.54 131.19 47.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.464 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -66.65 139.07 57.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.671 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -62.22 -23.48 66.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.439 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -56.35 -37.51 70.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.523 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -71.08 -36.79 72.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.474 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -49.62 -21.4 1.01 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -68.27 -63.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.749 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.45 -42.78 61.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.721 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 tp -44.37 -53.9 6.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' B' ' 41' ' ' LEU . 0.5 OUTLIER -43.89 -65.58 0.49 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.735 -179.485 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.489 ' O ' ' OG ' ' B' ' 42' ' ' SER . 25.3 mt-30 -65.04 -50.86 64.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.962 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 26.7 m -44.69 -46.63 10.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -91.53 -50.48 5.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.122 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' B' ' 37' ' ' LEU . 4.4 mp -103.96 99.91 9.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.842 0.353 . . . . 0.0 110.732 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 0.8 OUTLIER -120.54 40.86 3.4 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 179.83 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.81 -48.07 0.06 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -57.85 -21.69 44.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.624 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.437 ' C ' ' CD1' ' B' ' 45' ' ' LEU . 0.4 OUTLIER -96.8 3.88 52.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 57.2 t0 -103.68 4.57 35.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -151.77 33.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.567 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.554 ' H ' ' CD ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -43.11 94.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.465 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' B' ' 47' ' ' ALA . 21.2 tptp -60.14 -41.1 92.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.489 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -98.52 -141.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.544 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' B' ' 52' ' ' ASP . 10.7 p -168.83 -46.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.432 ' N ' ' CG1' ' B' ' 51' ' ' VAL . 85.8 m-20 -65.71 -37.97 87.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.65 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.07 -33.55 68.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.4 t -69.11 -41.99 81.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.613 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -71.55 -20.29 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.379 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -57.28 -57.9 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.459 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -55.53 -33.91 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttm -65.56 -35.37 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.675 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.26 -38.6 91.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -50.67 -41.68 55.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.582 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' B' ' 61' ' ' LEU . 8.8 mp -65.33 -38.68 90.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.465 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -70.2 -31.48 68.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.509 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -59.93 -24.99 64.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.472 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -142.94 -72.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.448 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.12 0.34 70.08 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -151.37 72.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.474 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.36 -155.94 7.55 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.1 171.31 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.543 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.07 -162.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -144.46 175.86 9.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.561 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -57.95 -35.02 70.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.753 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -73.08 -39.12 66.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -78.4 -27.8 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.432 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -66.81 -40.3 88.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.284 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 30.4 m -71.57 -29.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.59 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.3 -53.57 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.474 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.83 -33.47 73.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.404 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.37 -38.6 79.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.601 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.22 -19.81 53.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.52 -54.13 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.707 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.65 -25.15 67.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.526 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -75.41 -49.78 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.6 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.91 -36.94 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.554 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.37 -35.15 62.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.3 t -97.01 -46.88 6.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.678 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -55.31 140.48 39.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.627 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.566 ' ND2' ' O ' ' B' ' 91' ' ' GLU . 1.9 p-10 -144.61 36.57 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.46 -49.01 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -72.46 -43.28 63.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.568 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -76.95 -146.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.581 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.566 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 49.8 mt-10 -52.58 125.53 16.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.532 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' B' ' 93' ' ' SER . 44.6 p-10 -85.56 19.19 2.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.503 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.432 ' C ' ' O ' ' B' ' 92' ' ' ASN . 28.9 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -72.93 155.53 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.695 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.3 -24.91 68.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.468 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.436 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -79.74 -61.73 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -52.5 -44.15 65.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -69.24 -20.66 63.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.698 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.46 -37.23 70.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.747 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -83.87 -25.4 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.744 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.5 -25.29 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.716 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -78.38 -48.04 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.652 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.36 -46.54 82.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.644 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -60.01 -45.54 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.343 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.508 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 79.6 m-20 -60.33 -41.24 93.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.777 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.4 t -77.11 -29.59 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.721 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -57.84 -51.72 68.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.521 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.9 p80 -75.53 -19.56 59.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -30.77 68.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.35 -49.3 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.6 p -58.58 -36.8 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -61.56 -21.78 60.78 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 20' ' ' GLY . 44.7 tttt -58.63 -136.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.589 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' H ' ' CG ' ' A' ' 21' ' ' LYS . 65.7 mt-10 -105.28 133.6 49.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.576 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.09 -118.22 2.1 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -69.89 162.62 27.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.567 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -73.43 -63.6 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.571 ' OH ' ' CE2' ' B' ' 89' ' ' PHE . 3.8 m-85 -126.99 -4.94 6.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.627 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -91.65 168.97 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.652 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -131.4 126.13 34.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.415 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.4 p -60.55 155.72 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.57 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -83.76 -5.63 59.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -78.64 -34.9 46.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -70.51 -25.37 63.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -47.38 -21.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.343 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -76.03 -64.82 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.769 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.486 ' O ' ' OG1' ' A' ' 39' ' ' THR . 94.4 mt-10 -69.5 -29.81 67.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.91 -50.56 73.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.415 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 41' ' ' LEU . 93.2 mt -68.79 -46.58 68.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.966 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.72 -36.97 81.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.133 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 86.6 m -72.82 -40.43 65.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.956 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -85.02 -50.59 7.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.7 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.3 mp -99.57 96.61 7.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.831 0.348 . . . . 0.0 110.388 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.8 p -123.38 38.42 4.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.441 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.99 -39.26 0.2 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 62.4 m-85 -67.72 -51.84 44.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 110.452 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 45' ' ' LEU . 2.0 pp -58.34 -0.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.667 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.558 ' H ' ' C ' ' A' ' 44' ' ' PHE . 16.4 t70 -97.89 2.74 49.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.14 37.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.545 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -76.96 131.03 38.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -97.42 -78.8 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -50.9 153.17 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.643 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.2 -46.99 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.437 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -52.37 -48.58 65.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.74 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.0 84.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.618 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.61 -29.37 47.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.602 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -82.95 -20.28 35.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.428 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -53.87 -47.34 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.5 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 58' ' ' MET . 6.7 p -62.22 -40.23 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.441 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 64.0 mtt -72.49 -24.54 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.39 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -50.59 -37.02 37.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -62.19 -37.09 83.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.35 -34.74 55.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.42 -41.63 98.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.37 -44.29 79.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.485 ' N ' ' ND2' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -172.15 113.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.26 56.11 3.95 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.472 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 50.6 p30 -155.41 143.3 19.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.696 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.34 -148.88 18.79 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.536 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -144.58 173.32 11.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.753 0.311 . . . . 0.0 110.454 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.0 t -134.68 133.08 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.63 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.0 t0 -82.65 159.58 22.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.565 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 85.3 t80 -49.87 -51.47 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -59.16 -41.55 88.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.483 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -71.44 -18.44 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.343 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -83.84 -59.19 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.422 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.0 m -50.81 -44.19 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.968 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 77' ' ' LEU . 9.6 p -63.3 -42.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.855 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.459 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 3.6 tp -60.96 -38.84 87.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.516 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.491 ' O ' ' OG1' ' A' ' 82' ' ' THR . 75.6 t -62.12 -23.78 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.545 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.96 -19.43 30.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.744 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -64.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -62.86 -19.93 64.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.928 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 35.4 m -73.77 -43.4 59.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.496 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.2 t -66.41 -36.46 77.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -35.94 77.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.73 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.601 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 24.4 p -92.33 -29.6 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.745 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 85' ' ' CYS . 39.1 t30 -35.4 -83.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.597 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 85' ' ' CYS . 38.7 m-20 59.67 53.2 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.588 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -72.31 -76.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.548 ' CE2' ' OH ' ' B' ' 26' ' ' TYR . 67.1 t80 -84.19 -29.68 26.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.75 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -42.45 -41.62 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.665 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -96.04 144.73 26.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.5 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.467 ' O ' ' O ' ' A' ' 93' ' ' SER . 28.6 p-10 -65.71 174.4 2.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 92' ' ' ASN . 49.7 m . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.53 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -73.05 155.53 39.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.61 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.27 -24.87 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.425 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 0.2 OUTLIER -79.65 -61.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.645 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -52.37 -44.26 65.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -69.17 -20.84 64.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.673 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.45 -37.15 69.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.729 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -83.97 -25.35 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.708 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.6 -25.2 67.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.677 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -78.39 -48.09 16.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.674 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.31 -46.52 83.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.738 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' B' ' 13' ' ' ASN . 0.2 OUTLIER -60.05 -45.53 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.321 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.505 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 79.1 m-20 -60.33 -41.33 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.753 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -76.96 -29.7 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.723 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -57.79 -51.81 68.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.705 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.521 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 4.8 p80 -75.55 -19.5 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.783 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -30.85 68.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.666 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.35 -49.23 5.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.707 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.6 p -58.63 -36.69 74.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.688 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' B' ' 21' ' ' LYS . . . -61.59 -21.89 60.97 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 20' ' ' GLY . 44.3 tttt -58.52 -136.38 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.801 0.334 . . . . 0.0 110.628 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.415 ' H ' ' CG ' ' B' ' 21' ' ' LYS . 65.5 mt-10 -105.29 133.53 49.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.13 -118.19 2.09 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -69.86 162.62 27.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 110.599 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -73.48 -63.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.712 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.548 ' OH ' ' CE2' ' A' ' 89' ' ' PHE . 3.7 m-85 -127.01 -4.95 6.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -91.64 168.93 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.569 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -131.41 126.05 34.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.375 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -60.49 155.72 17.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -83.84 -5.46 59.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -78.69 -34.94 45.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.508 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -70.5 -25.43 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.627 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -47.39 -21.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -75.92 -64.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.49 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.4 mt-10 -69.54 -29.71 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.98 -50.49 73.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' B' ' 41' ' ' LEU . 93.6 mt -68.91 -46.51 68.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.71 -37.02 81.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.143 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 86.1 m -72.75 -40.47 66.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.912 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -85.09 -50.37 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.714 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' B' ' 37' ' ' LEU . 5.3 mp -99.63 96.54 7.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.783 0.325 . . . . 0.0 110.343 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 53.9 p -123.43 38.43 4.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.344 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.03 -39.27 0.2 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.61 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 62.4 m-85 -67.66 -51.81 45.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.808 0.337 . . . . 0.0 110.482 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.467 ' C ' ' CD1' ' B' ' 45' ' ' LEU . 2.0 pp -58.5 -0.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' B' ' 44' ' ' PHE . 16.5 t70 -97.96 2.85 49.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.473 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.2 37.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -76.93 131.08 38.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -97.4 -78.89 0.47 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.637 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -50.93 153.11 1.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.1 -47.1 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.441 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -52.33 -48.6 65.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.778 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.99 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.71 -29.4 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -82.93 -20.27 35.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.384 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -53.85 -47.4 71.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.461 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' B' ' 58' ' ' MET . 6.9 p -62.21 -40.22 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.445 ' N ' ' CG1' ' B' ' 57' ' ' VAL . 64.0 mtt -72.42 -24.59 61.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.466 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -50.52 -37.1 37.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.568 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -62.02 -37.12 83.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.508 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 45.6 mt -77.33 -34.77 55.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.49 -41.55 98.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -67.35 -44.25 79.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.647 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.484 ' ND2' ' N ' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -172.21 113.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.2 56.04 3.97 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.486 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 50.6 p30 -155.35 143.36 20.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.25 -148.94 18.79 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 0.1 OUTLIER -144.51 173.35 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.745 0.307 . . . . 0.0 110.505 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.1 t -134.76 133.15 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 47.9 t0 -82.67 159.64 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.484 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.536 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 85.7 t80 -49.93 -51.57 40.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.481 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -59.08 -41.61 88.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -71.31 -18.58 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.356 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -83.65 -59.31 2.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.423 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.9 m -50.75 -44.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.975 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' B' ' 77' ' ' LEU . 9.5 p -63.42 -42.77 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.793 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.457 ' N ' ' CG1' ' B' ' 76' ' ' VAL . 3.6 tp -60.9 -38.82 87.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.622 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.478 ' O ' ' OG1' ' B' ' 82' ' ' THR . 75.6 t -62.18 -23.84 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.81 -19.47 30.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.784 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.05 -64.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -62.89 -20.04 64.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.883 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 34.7 m -73.7 -43.39 59.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.44 -36.4 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.629 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.81 77.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.741 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.61 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 24.5 p -92.31 -29.6 16.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.826 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' B' ' 85' ' ' CYS . 39.0 t30 -35.33 -83.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 85' ' ' CYS . 39.2 m-20 59.74 53.14 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -72.21 -76.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.571 ' CE2' ' OH ' ' A' ' 26' ' ' TYR . 67.0 t80 -84.15 -29.57 26.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.827 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -42.57 -41.61 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.575 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -96.07 144.67 26.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.473 ' O ' ' O ' ' B' ' 93' ' ' SER . 28.8 p-10 -65.66 174.39 2.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.513 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.473 ' O ' ' O ' ' B' ' 92' ' ' ASN . 49.6 m . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.58 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.36 161.23 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.33 -35.07 76.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.9 tp -74.34 -36.07 63.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.99 -44.73 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.67 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 t -78.63 -20.85 49.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.658 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.58 -43.58 68.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.4 mmm -74.28 -31.6 62.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.21 -28.8 70.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.0 m -73.12 -34.36 66.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.645 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.05 -57.33 6.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 tt -57.76 -30.48 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.676 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -56.01 -38.06 69.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.498 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.9 t -81.31 -40.35 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.635 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -59.38 -59.09 6.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.528 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -55.67 -29.75 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.501 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.93 85.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -94.38 -22.94 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.609 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 p -61.82 -29.39 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.664 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.59 -146.96 0.12 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt 57.91 -144.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.476 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -83.89 161.93 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.13 -170.24 41.0 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.48 140.13 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.502 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -85.36 -19.68 31.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.628 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -100.54 -43.28 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.651 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -91.6 160.36 15.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -134.01 142.91 47.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.43 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -65.19 160.94 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.499 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' NZ ' ' ND2' ' A' ' 64' ' ' ASN . 33.0 ttmt -90.26 -30.02 17.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.635 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -58.07 -42.68 86.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.607 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -60.07 -32.65 71.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 tp -49.58 -52.45 30.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -61.2 -25.55 67.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' A' ' 39' ' ' THR . 79.5 mm-40 -83.87 -49.06 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.216 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -73.86 -26.85 60.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.129 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.65 -64.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.372 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.481 ' O ' ' OG ' ' A' ' 42' ' ' SER . 50.3 mt-30 -64.38 -52.63 57.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.696 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 9.5 m -46.23 -49.04 17.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.619 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.19 -37.94 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.568 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.84 -80.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.754 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 4.1 m 51.09 42.41 28.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.535 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.05 -45.03 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -60.2 -32.0 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.782 0.325 . . . . 0.0 110.726 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.496 ' CD2' ' H ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.67 -26.99 50.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.349 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -77.86 1.88 19.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.493 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.66 46.13 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.14 162.69 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -138.07 -77.76 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -49.36 135.21 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.644 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -93.96 -52.25 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.483 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 24.7 p-10 -53.47 -54.82 31.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.671 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.12 -42.91 66.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.711 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.95 -27.26 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -71.58 -34.6 70.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.755 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.73 -61.89 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.457 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -50.15 -38.74 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.643 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.6 mtt -69.94 -37.18 75.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.513 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -58.32 -36.85 74.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.562 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 70.0 mm-40 -55.73 -38.57 69.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.465 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' GLY . 40.1 mt -71.04 -38.06 72.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.355 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.15 -39.4 93.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.67 -37.28 85.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.586 ' ND2' ' NZ ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -157.37 72.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.773 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -59.19 -39.03 93.99 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.12 131.64 40.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.71 -175.96 32.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -121.81 158.16 29.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.719 0.295 . . . . 0.0 110.596 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.9 156.07 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.554 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -97.66 -173.63 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.494 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' O ' ' N ' ' A' ' 74' ' ' TYR . 50.9 t80 -52.92 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' VAL . 34.1 mt-30 -38.62 -63.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.756 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -47.68 -24.47 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.397 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.555 ' N ' ' O ' ' A' ' 71' ' ' PHE . 2.5 t80 -99.94 -18.52 17.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -78.16 -36.92 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.581 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 77' ' ' LEU . 10.7 p -81.54 -42.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.428 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 0.2 OUTLIER -49.64 -50.2 44.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.524 -179.816 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.11 -27.58 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.92 -19.45 30.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.99 -65.12 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.229 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.423 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.8 pt? -61.25 -20.09 62.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.892 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -69.3 -50.16 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.696 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.98 -32.39 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.06 -19.13 60.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.814 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 m -127.55 28.34 5.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.742 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -68.08 -58.76 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.53 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.4 t30 55.42 47.95 20.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -96.39 -77.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -87.23 -29.05 21.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.611 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -45.19 -28.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.648 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.27 135.87 49.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.531 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -105.15 24.13 12.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.693 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 91.1 p . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.576 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.51 161.21 23.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.21 -35.12 76.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 50.0 tp -74.36 -36.07 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.0 -44.64 92.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.743 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.3 t -78.67 -20.8 49.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.647 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.58 -43.59 68.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.4 mmm -74.38 -31.53 62.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.504 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.32 -28.75 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.625 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.7 m -73.11 -34.48 66.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 mt -68.03 -57.28 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.658 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 tt -57.79 -30.56 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -55.91 -38.12 69.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.9 t -81.34 -40.19 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.751 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -59.48 -59.0 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -55.66 -29.82 59.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.0 86.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.518 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -94.36 -22.86 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.655 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.4 p -61.84 -29.35 70.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.64 -146.89 0.12 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt 57.88 -144.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.613 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -83.98 161.91 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.24 -170.25 40.81 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.51 140.06 58.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.804 0.335 . . . . 0.0 110.566 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -85.32 -19.72 31.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -100.4 -43.33 6.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.73 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -91.58 160.29 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.702 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -133.92 142.92 47.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.512 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -65.16 161.02 19.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.585 ' NZ ' ' ND2' ' B' ' 64' ' ' ASN . 33.0 ttmt -90.31 -29.91 17.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -58.18 -42.67 86.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -60.1 -32.59 71.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.506 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 tp -49.62 -52.44 30.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -61.2 -25.55 67.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' B' ' 39' ' ' THR . 79.6 mm-40 -83.83 -49.14 9.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -73.85 -26.75 60.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.119 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.61 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.352 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.482 ' O ' ' OG ' ' B' ' 42' ' ' SER . 50.3 mt-30 -64.36 -52.59 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.74 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 9.4 m -46.2 -49.11 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.14 -37.94 57.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.4 mt -95.9 -80.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.689 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 4.1 m 51.07 42.42 28.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.554 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.13 -44.96 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -60.17 -32.14 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 110.702 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.508 ' H ' ' CD2' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -77.62 -26.91 50.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.383 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -77.91 1.85 19.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.61 46.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.09 162.64 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -137.96 -77.63 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.645 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -49.52 135.35 18.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.606 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -93.94 -52.35 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.467 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' B' ' 52' ' ' ASP . 24.8 p-10 -53.4 -54.92 29.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.05 -42.96 66.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.692 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.7 t -67.97 -27.17 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.598 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -71.51 -34.7 70.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.749 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.67 -61.85 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.51 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -50.25 -38.79 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.603 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 48.5 mtt -69.91 -37.15 75.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -58.29 -36.91 74.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.625 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.559 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 70.1 mm-40 -55.61 -38.63 69.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.508 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' B' ' 65' ' ' GLY . 39.9 mt -71.01 -38.02 72.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.398 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.2 -39.36 93.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.76 -37.16 85.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.681 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.585 ' ND2' ' NZ ' ' B' ' 30' ' ' LYS . 0.1 OUTLIER -157.37 72.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.727 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -59.25 -38.99 94.02 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.09 131.7 40.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.497 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.6 -176.01 32.52 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -121.85 158.18 29.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.789 0.328 . . . . 0.0 110.502 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.94 156.1 25.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -97.71 -173.64 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.55 ' O ' ' N ' ' B' ' 74' ' ' TYR . 50.6 t80 -52.9 -73.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' B' ' 75' ' ' VAL . 34.0 mt-30 -38.49 -63.08 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -47.78 -24.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.55 ' N ' ' O ' ' B' ' 71' ' ' PHE . 2.5 t80 -99.93 -18.57 17.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -78.13 -37.02 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.481 -179.569 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' B' ' 77' ' ' LEU . 10.7 p -81.41 -42.83 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.434 ' N ' ' CG1' ' B' ' 76' ' ' VAL . 0.2 OUTLIER -49.78 -50.07 46.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.552 -179.795 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.15 -27.72 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.68 -19.52 30.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.12 -64.88 0.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.221 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.422 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.8 pt? -61.35 -20.21 62.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.871 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -69.21 -50.13 50.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.705 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.03 -32.44 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.04 -19.08 60.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.803 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 m -127.64 28.4 5.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.745 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -68.02 -58.78 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.605 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.5 t30 55.37 47.93 20.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -96.26 -77.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.701 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -87.3 -29.07 21.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.615 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -45.12 -28.71 0.78 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.62 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -55.37 135.94 49.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.519 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -105.3 24.33 12.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.647 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 91.1 p . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.545 179.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.7 OUTLIER 84.24 125.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 110.637 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -57.99 -34.96 70.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.65 -35.42 76.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.4 -50.47 73.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.677 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.39 -21.23 39.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.725 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.76 -41.33 43.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.469 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.4 mmm -74.66 -30.58 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.596 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.74 -29.42 70.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.0 m -75.04 -34.66 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.05 -56.05 13.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.721 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 tt -61.55 -23.1 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -56.53 -37.77 70.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.699 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.5 t -85.3 -29.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.66 -61.91 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.734 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.516 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.7 p80 -58.18 -20.56 42.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -70.05 -50.61 39.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.673 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -79.85 -38.11 33.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -57.38 -31.38 65.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.37 35.94 4.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 22' ' ' GLU . 80.0 tttt -146.08 115.56 7.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.624 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 21' ' ' LYS . 97.4 mt-10 46.11 100.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.571 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.6 -142.44 13.74 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.59 -178.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 0.0 110.641 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -106.08 -20.92 13.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.729 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -143.52 12.96 1.74 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.811 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -128.75 132.88 47.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.341 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.5 tp -97.18 132.54 42.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.592 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.7 p -74.97 165.68 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.554 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.481 ' HZ2' ' H ' ' A' ' 65' ' ' GLY . 9.8 mtmp? -90.28 -5.59 56.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.638 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -81.18 -23.43 38.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' C ' ' N ' ' A' ' 34' ' ' LYS . 83.7 mt-30 -82.87 -39.5 21.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.1 mt -45.74 -21.62 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 32' ' ' GLN . 22.1 mtpp -63.1 -61.06 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.801 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.6 -40.69 17.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.728 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -44.35 -53.93 6.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.336 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.54 -65.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 0.0 110.96 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -57.68 -55.5 34.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.011 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.9 m -42.61 -49.68 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -73.77 -46.59 44.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.9 mt -78.52 -87.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.627 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' ' OG ' ' A' ' 42' ' ' SER . 1.4 p 62.83 37.49 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.462 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.72 -46.77 0.03 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -65.84 -39.01 90.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.749 0.309 . . . . 0.0 110.621 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.77 -14.1 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.56 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -83.65 7.84 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.73 70.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.635 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -93.82 111.73 23.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.627 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -83.47 -62.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -67.4 179.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 52' ' ' ASP . 7.7 p -139.35 -45.84 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 4.0 p30 -61.77 -41.43 97.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.653 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.28 62.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.574 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.74 -29.41 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 39.1 t0 -82.87 -20.31 35.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.427 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -54.74 -54.04 47.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.412 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 58' ' ' MET . 9.8 p -58.74 -41.79 83.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.458 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 63.3 mtt -66.22 -39.37 89.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -59.35 -34.52 72.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -51.34 -40.16 58.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 9.6 mp -70.33 -40.15 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.66 -40.41 75.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.597 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.73 -9.85 40.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.46 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -139.04 -91.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.481 ' H ' ' HZ2' ' A' ' 30' ' ' LYS . . . 94.35 6.07 61.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -177.09 112.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.614 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.48 -155.48 25.04 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -135.4 165.56 25.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.791 0.329 . . . . 0.0 110.49 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 m -139.33 155.95 26.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -97.17 174.68 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.36 -43.45 96.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.0 -34.05 75.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -81.02 -24.61 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.63 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -73.72 -38.71 64.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.483 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.11 -33.36 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.319 . . . . 0.0 110.806 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.54 -51.55 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.699 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.74 -49.99 75.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.437 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.455 ' O ' ' OG1' ' A' ' 82' ' ' THR . 74.9 t -52.37 -35.8 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.662 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -20.45 29.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.731 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.33 -64.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.167 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -64.15 -20.19 65.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.973 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 58.7 m -66.95 -53.74 28.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.31 -38.38 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.61 92.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 81.1 m -94.69 10.97 32.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -89.76 111.13 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -100.26 49.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -67.73 -47.9 68.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.588 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 80.2 t80 -143.68 2.83 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -73.98 52.33 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.5 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -150.94 150.69 31.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.486 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.683 HD21 ' N ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -69.57 117.05 10.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.683 ' N ' HD21 ' A' ' 92' ' ' ASN . 33.7 m . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.58 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.538 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 0.7 OUTLIER 84.36 125.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.57 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.11 -34.9 70.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.462 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.71 -35.39 76.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.436 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.42 -50.45 73.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.35 -21.35 39.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.729 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.79 -41.24 44.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.432 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.5 mmm -74.59 -30.73 61.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.581 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.76 -29.4 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.1 m -74.98 -34.79 62.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.03 -56.04 13.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.801 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 tt -61.36 -23.29 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.664 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -56.5 -37.76 70.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.5 t -85.33 -29.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.64 -61.92 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.784 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.524 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 4.8 p80 -58.12 -20.62 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.417 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -69.94 -50.65 39.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.689 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -79.85 -38.12 33.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.747 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -57.39 -31.41 65.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.4 36.06 4.0 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' B' ' 22' ' ' GLU . 80.0 tttt -146.08 115.45 7.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.65 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' B' ' 21' ' ' LYS . 97.4 mt-10 46.13 100.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.628 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.56 -142.49 13.79 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.53 -178.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.629 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -106.12 -20.92 13.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -143.46 12.89 1.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -128.69 132.85 48.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.457 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 35.3 tp -97.14 132.54 42.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 96.3 p -74.98 165.78 24.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.507 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.492 ' HZ2' ' H ' ' B' ' 65' ' ' GLY . 9.8 mtmp? -90.47 -5.54 55.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -81.18 -23.36 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' B' ' 34' ' ' LYS . 83.6 mt-30 -82.97 -39.48 21.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.61 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.1 mt -45.81 -21.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.451 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' B' ' 32' ' ' GLN . 22.1 mtpp -63.27 -60.88 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.69 -40.54 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.753 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -44.44 -53.99 6.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.354 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.47 -65.7 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.985 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -57.84 -55.33 36.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.003 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 40.6 m -42.72 -49.56 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -73.8 -46.6 44.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.802 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 79.4 mt -78.53 -87.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' B' ' 42' ' ' SER . 1.4 p 62.68 37.53 12.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.481 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.68 -46.96 0.03 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -65.78 -38.94 90.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.69 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.79 -14.09 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -83.71 7.83 16.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.71 70.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -93.78 111.77 23.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -83.57 -62.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -67.44 179.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.529 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -139.32 -45.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.615 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.63 -41.48 97.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.635 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.3 -31.21 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.74 -29.38 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 39.1 t0 -82.85 -20.38 35.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -54.68 -54.04 46.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.438 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' B' ' 58' ' ' MET . 9.8 p -58.76 -41.75 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.712 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.456 ' N ' ' CG1' ' B' ' 57' ' ' VAL . 63.4 mtt -66.34 -39.36 89.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.563 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.29 -34.62 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.481 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -51.33 -40.03 58.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.451 ' N ' ' CD1' ' B' ' 61' ' ' LEU . 9.6 mp -70.52 -40.02 73.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.634 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.72 -40.45 75.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.508 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.64 -9.97 41.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.486 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -138.9 -91.65 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.492 ' H ' ' HZ2' ' B' ' 30' ' ' LYS . . . 94.33 6.06 61.6 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -176.99 112.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.45 -155.41 24.93 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -135.5 165.56 25.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 110.448 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 m -139.35 155.99 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -97.27 174.57 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.583 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -60.28 -43.47 96.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.685 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.01 -34.03 75.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -81.08 -24.59 37.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.594 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -73.69 -38.81 64.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.436 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -71.02 -33.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.759 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.52 -51.72 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.649 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.6 -50.01 75.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.474 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.453 ' O ' ' OG1' ' B' ' 82' ' ' THR . 74.7 t -52.32 -35.86 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.74 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.79 -20.57 29.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.24 -64.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -64.37 -20.09 65.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.978 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 58.9 m -66.92 -53.67 29.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.583 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.39 -38.38 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.63 93.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.498 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 80.6 m -94.71 11.03 32.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -89.86 111.05 21.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.66 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -100.2 49.63 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.538 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -67.86 -47.74 68.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.583 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 80.3 t80 -143.76 2.84 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -74.07 52.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.495 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -150.88 150.66 31.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.692 HD21 ' N ' ' B' ' 93' ' ' SER . 0.3 OUTLIER -69.61 117.04 10.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.547 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.692 ' N ' HD21 ' B' ' 92' ' ' ASN . 34.5 m . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.602 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 m -75.35 156.76 35.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.511 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -63.12 -26.63 68.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.13 -27.7 55.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.15 -56.11 19.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.732 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 t -78.94 -20.83 48.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.678 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.31 -45.97 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.48 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mmm -72.67 -30.18 64.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.568 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.08 -28.4 69.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.621 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.4 m -73.37 -30.99 63.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.09 -55.27 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.763 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.6 tt -63.01 -25.92 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -55.76 -37.98 69.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.29 -27.52 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.699 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CZ ' ' O ' ' A' ' 70' ' ' ASP . 55.8 t80 -64.96 -62.1 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.725 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.518 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.2 p80 -59.46 -23.69 62.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.453 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -68.08 -38.16 82.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.706 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -89.62 -30.57 18.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.756 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 21' ' ' LYS . 7.8 p -70.17 -20.68 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.22 16.4 4.71 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 19' ' ' SER . 24.5 mtpp -100.28 173.9 6.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.853 0.359 . . . . 0.0 110.569 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.35 146.14 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.678 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.84 -115.22 2.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -72.6 -28.55 62.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 26' ' ' TYR . 7.7 mtpp 63.63 7.95 3.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.566 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.427 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 82.2 m-85 -154.96 -38.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.582 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -102.04 154.55 18.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.6 tp -104.07 133.38 49.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.46 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 t -61.27 -138.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -140.85 -47.38 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' O ' ' OE1' ' A' ' 35' ' ' GLU . 47.2 mtmt -66.96 -22.73 65.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.507 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -70.43 -27.6 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.794 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.07 -48.24 81.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.768 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -50.7 -25.27 4.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.577 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 10.6 mp0 -83.32 -57.36 3.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.108 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.96 -28.85 68.62 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.903 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mt -54.51 -51.95 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.136 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -72.25 -44.66 62.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.11 -43.99 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -72.7 -39.17 67.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 42' ' ' SER . 89.0 mt -90.57 -101.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.525 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 1.1 t 79.05 41.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.42 -55.91 0.02 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.639 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 56.0 m-85 -62.77 -41.98 99.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.633 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.479 ' CD2' ' H ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -67.89 -37.33 81.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.263 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -62.11 -13.68 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.0 65.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.06 134.92 41.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.568 ' NZ ' ' O ' ' A' ' 85' ' ' CYS . 13.1 pttm -101.29 -43.64 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.657 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -72.86 149.71 43.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.16 -59.34 3.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.462 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.79 -43.6 63.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.97 86.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.714 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.99 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.647 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.84 -20.3 35.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.395 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -58.7 -47.84 83.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.429 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.21 -33.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.0 mmm -68.01 -28.98 67.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.55 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -53.7 -35.15 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.611 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 64' ' ' ASN . 86.2 mt-10 -53.1 -39.16 63.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.629 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 mt -62.48 -41.16 98.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -72.24 -46.31 56.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.437 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -74.33 -57.28 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.529 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 60' ' ' GLU . 32.9 m-80 -93.11 -117.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.48 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.19 12.62 83.02 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -147.02 71.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.513 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.78 -160.53 25.49 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -145.77 172.8 12.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.557 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.4 m -134.26 159.93 41.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.519 ' O ' ' CZ ' ' A' ' 15' ' ' PHE . 86.4 m-20 -93.41 -68.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.615 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -166.0 -42.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.679 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -64.39 -47.86 77.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.783 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.34 -19.67 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -76.07 -57.89 3.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.339 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 m -52.04 -25.95 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.665 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.79 -45.11 99.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.636 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 7.6 mp -67.41 -46.67 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.498 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.478 ' O ' ' OG1' ' A' ' 82' ' ' THR . 98.7 t -53.3 -34.59 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.732 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.63 -19.34 31.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.751 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.77 -64.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.423 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.47 -20.02 65.23 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.896 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 54.4 m -71.45 -43.68 66.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.517 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.35 -33.99 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.738 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.02 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.709 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.639 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 23.6 p -93.17 -43.15 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.674 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.523 ' ND2' ' CE1' ' A' ' 88' ' ' PHE . 9.1 t-20 -39.55 116.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.703 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 89' ' ' PHE . 62.1 t30 -97.89 -72.18 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.514 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.523 ' CE1' ' ND2' ' A' ' 86' ' ' ASN . 20.0 m-85 53.42 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.62 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 46.1 t80 -151.36 17.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.64 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -87.78 18.61 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -136.69 143.39 43.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.579 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -94.01 165.18 12.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.471 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.631 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -75.37 156.77 35.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.491 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -63.12 -26.62 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.18 -27.65 55.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.22 -56.05 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.781 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -78.95 -20.84 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.656 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.32 -45.97 65.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mmm -72.63 -30.15 64.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.54 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -65.21 -28.43 69.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.1 m -73.29 -30.95 63.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.702 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.18 -55.17 13.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 tt -63.12 -25.93 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.758 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -55.76 -37.97 69.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.26 -27.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.685 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' B' ' 70' ' ' ASP . 55.4 t80 -64.91 -62.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.53 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 4.3 p80 -59.39 -23.75 62.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.652 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.457 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -68.1 -38.05 81.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.768 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -89.63 -30.62 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.439 ' C ' ' H ' ' B' ' 21' ' ' LYS . 7.8 p -70.1 -20.75 63.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.711 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.21 16.39 4.71 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' B' ' 19' ' ' SER . 24.6 mtpp -100.34 173.81 6.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 110.6 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.31 146.21 19.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.648 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.82 -115.28 2.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -72.58 -28.47 62.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 0.0 110.534 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' B' ' 26' ' ' TYR . 7.7 mtpp 63.68 7.89 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.437 ' CG ' ' O ' ' B' ' 25' ' ' LYS . 82.1 m-85 -154.97 -38.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -102.09 154.39 19.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 46.6 tp -103.91 133.43 48.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.5 t -61.36 -138.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -140.73 -47.4 0.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.517 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.486 ' O ' ' OE1' ' B' ' 35' ' ' GLU . 47.1 mtmt -66.82 -22.89 65.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.553 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -70.39 -27.55 64.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.13 -48.22 81.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.712 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -50.59 -25.38 4.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.587 ' N ' ' OE1' ' B' ' 35' ' ' GLU . 10.6 mp0 -83.22 -57.4 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.94 -28.75 68.54 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.95 -179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -54.7 -51.8 64.41 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.117 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -72.31 -44.65 62.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.12 -43.91 91.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.73 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -72.83 -39.15 66.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' B' ' 42' ' ' SER . 88.9 mt -90.53 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.466 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 1.0 OUTLIER 79.07 41.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.547 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.38 -55.84 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.643 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 56.0 m-85 -62.82 -41.99 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.699 0.285 . . . . 0.0 110.661 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.482 ' H ' ' CD2' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -67.9 -37.24 81.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.303 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -62.05 -13.83 30.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.9 65.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.708 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.07 134.9 41.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.466 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.571 ' NZ ' ' O ' ' B' ' 85' ' ' CYS . 13.1 pttm -101.35 -43.66 5.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.584 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -72.83 149.75 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.518 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.17 -59.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.83 -43.51 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.698 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.99 86.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.651 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.01 -31.41 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.88 -20.26 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.364 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -58.66 -47.96 82.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.368 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.23 -33.06 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mmm -68.1 -28.88 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.604 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -53.8 -35.17 61.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' B' ' 64' ' ' ASN . 86.3 mt-10 -52.99 -39.2 62.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.647 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.45 -41.28 98.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -72.2 -46.26 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.445 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -74.36 -57.2 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.556 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' B' ' 60' ' ' GLU . 32.6 m-80 -93.18 -117.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.47 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.13 12.61 83.08 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -147.06 71.58 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.878 0.371 . . . . 0.0 110.47 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.8 -160.57 25.58 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -145.8 172.76 12.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.585 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.1 m -134.24 159.91 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.517 ' O ' ' CZ ' ' B' ' 15' ' ' PHE . 86.2 m-20 -93.44 -68.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -165.92 -42.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.625 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -64.44 -47.85 77.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.717 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.25 -19.74 64.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -76.13 -57.77 3.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.415 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 m -52.01 -26.11 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.74 -45.06 99.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.625 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.445 ' N ' ' CD1' ' B' ' 77' ' ' LEU . 7.6 mp -67.36 -46.64 72.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.484 ' O ' ' OG1' ' B' ' 82' ' ' THR . 98.8 t -53.35 -34.64 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.693 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.5 -19.49 31.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.751 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.78 -64.7 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.28 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.56 -20.07 65.34 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.94 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 53.3 m -71.29 -43.79 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.471 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.46 -33.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.591 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.04 75.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.71 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.643 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 23.4 p -93.12 -43.19 8.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.685 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.529 ' ND2' ' CE1' ' B' ' 88' ' ' PHE . 9.1 t-20 -39.54 116.37 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.648 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' B' ' 89' ' ' PHE . 61.9 t30 -97.92 -72.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.529 ' CE1' ' ND2' ' B' ' 86' ' ' ASN . 20.0 m-85 53.19 -80.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.768 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.578 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 46.2 t80 -151.42 17.64 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -87.77 18.71 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.66 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -136.73 143.28 43.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.596 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -93.97 165.22 12.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.461 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.596 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.718 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -81.76 162.11 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.5 mp0 -59.4 -29.19 67.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.9 tp -68.69 -33.79 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.29 -43.72 97.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.776 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 t -84.09 -20.99 31.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.623 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.88 -41.49 33.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.4 mmm -70.13 -34.79 73.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.59 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.27 -23.3 66.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.602 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.4 m -73.54 -35.13 65.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.669 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 mt -76.51 -44.67 34.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.431 HG21 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -63.58 -39.25 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.365 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.427 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 53.2 t-20 -56.8 -54.94 40.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.03 -32.92 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.721 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -51.37 -52.37 46.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.653 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.509 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 5.1 p80 -74.64 -23.57 58.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.707 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.482 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -65.66 -29.81 70.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.692 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -89.98 -49.21 6.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.811 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.7 t -60.46 -14.4 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.667 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.11 -58.44 2.33 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -60.37 -51.72 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.675 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -139.73 173.05 11.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.624 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.85 -169.44 40.55 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.91 169.35 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -59.52 -65.41 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -104.43 -31.37 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.728 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -82.98 176.99 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.576 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -142.48 133.24 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -84.42 173.69 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.687 -179.818 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' N ' ' OG ' ' A' ' 29' ' ' SER . 57.2 mttm -82.0 -37.56 26.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.665 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -52.58 -38.79 60.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -72.01 -37.34 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.23 -59.33 5.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.668 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -47.68 -25.35 1.17 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.704 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -83.77 -57.38 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.313 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.35 -28.74 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.154 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.37 -52.52 64.27 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.451 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' SER . 85.1 mt-30 -65.82 -38.26 88.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.7 m -65.97 -48.1 72.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.57 -49.21 56.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.797 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.3 mt -76.07 -61.46 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.721 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.6 p 39.52 36.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.577 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.99 -62.89 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -49.35 -44.01 44.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.649 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.25 -26.97 66.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.453 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -78.96 4.07 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.8 -77.28 0.59 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.52 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 52.55 58.05 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -52.51 -42.82 64.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.657 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.73 179.98 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p -138.29 -41.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -63.42 -58.04 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.23 -39.81 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.579 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.49 -30.54 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.418 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -67.12 -44.02 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.696 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -53.92 -64.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.504 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 p -49.49 -40.01 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.607 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.0 ttp -71.42 -35.44 70.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.88 -27.82 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.745 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -49.02 -37.93 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.645 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.69 -42.64 84.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.17 -40.84 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.524 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.0 -28.9 70.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -128.81 -92.18 0.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.497 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.67 14.27 42.63 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -157.34 47.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 110.546 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.63 155.61 26.65 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 mp0 -92.31 161.33 14.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -131.09 149.98 34.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -95.19 171.22 8.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.589 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -49.51 -42.8 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.678 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.87 -46.05 83.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.783 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.76 -18.65 63.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.935 0.398 . . . . 0.0 110.245 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -82.18 -63.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.459 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.7 m -45.22 -47.93 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.721 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.8 p -63.39 -30.04 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.526 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -46.69 87.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.446 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.36 -33.83 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.617 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.1 -19.56 45.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.31 -63.13 1.47 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.942 0.401 . . . . 0.0 110.187 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -54.54 -23.77 17.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.828 179.73 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.3 m -75.27 -48.45 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.625 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.5 t -64.46 -28.74 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.04 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 99.1 m -93.69 -42.23 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.571 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -77.27 96.9 4.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.773 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.477 ' N ' HD21 ' A' ' 87' ' ' ASN . 1.1 m-80 -103.08 97.82 7.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.426 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 6.5 t80 -80.25 -18.81 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 31.0 m-85 -162.43 -7.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.529 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -65.75 -42.35 91.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -150.06 128.19 11.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.729 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.462 ' O ' ' O ' ' A' ' 93' ' ' SER . 0.7 OUTLIER 42.3 53.52 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.622 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 92' ' ' ASN . 4.4 t . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.551 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -81.79 162.14 23.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.572 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 52.4 mp0 -59.32 -29.33 67.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.593 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 42.9 tp -68.59 -33.81 74.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.748 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.24 -43.81 97.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -83.93 -21.07 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.683 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.93 -41.48 33.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.554 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 73.3 mmm -70.09 -34.85 73.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.608 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.29 -23.21 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.9 m -73.53 -35.3 65.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.37 -44.73 35.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.731 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.417 HG21 HD12 ' B' ' 12' ' ' ILE . 0.2 OUTLIER -63.67 -39.21 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.289 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.421 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 53.2 t-20 -56.71 -55.07 38.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.811 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.98 -32.93 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.769 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -51.39 -52.23 47.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.665 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.516 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 5.1 p80 -74.75 -23.56 58.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.485 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -65.72 -29.65 70.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.759 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -90.05 -49.31 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.726 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -60.42 -14.43 18.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.663 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.14 -58.33 2.34 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -60.43 -51.65 68.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 110.668 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -139.77 173.11 11.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.654 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.81 -169.51 40.72 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.83 169.3 3.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.582 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -59.54 -65.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.718 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -104.33 -31.33 9.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -83.01 177.04 8.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -142.52 133.15 25.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.422 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' B' ' 30' ' ' LYS . 0.3 OUTLIER -84.42 173.64 10.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.787 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.47 ' N ' ' OG ' ' B' ' 29' ' ' SER . 57.2 mttm -81.93 -37.55 26.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.67 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -52.66 -38.61 60.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.653 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -72.19 -37.23 69.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.771 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.24 -59.43 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.649 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -47.5 -25.48 1.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.719 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -83.74 -57.4 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.281 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.33 -28.84 68.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.169 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.19 -52.59 63.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.358 . . . . 0.0 110.432 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' B' ' 42' ' ' SER . 85.2 mt-30 -65.94 -38.19 88.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.699 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.5 m -66.1 -48.11 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.78 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -69.47 -49.3 56.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' B' ' 42' ' ' SER . 75.0 mt -76.0 -61.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.754 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.435 ' N ' ' O ' ' B' ' 38' ' ' GLN . 2.6 p 39.52 36.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.95 -62.83 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -49.3 -44.06 43.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.6 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.15 -27.17 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -78.85 4.13 14.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.622 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.82 -77.34 0.59 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.482 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 52.46 58.12 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.614 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -52.61 -42.78 64.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.88 179.94 6.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p -138.21 -41.89 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.499 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -63.49 -58.04 8.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.496 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.84 70.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.1 t -65.33 -30.55 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.485 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -67.12 -44.13 80.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -53.81 -64.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.512 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 p -49.46 -40.04 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.591 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 6.0 ttp -71.22 -35.65 71.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.77 -27.85 67.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.756 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -49.02 -37.95 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.666 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 69.5 mt -57.67 -42.73 84.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.488 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -68.14 -40.85 82.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.01 -28.91 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.526 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -128.82 -92.11 0.47 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.437 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.55 14.48 42.77 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -157.5 47.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.58 155.62 26.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.5 mp0 -92.32 161.36 14.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.751 0.31 . . . . 0.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.8 m -131.1 149.98 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -95.19 171.27 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.505 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -49.52 -42.86 44.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.676 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.8 -46.03 83.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.81 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.81 -18.76 63.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.228 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -82.03 -63.95 1.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.571 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.7 m -45.22 -47.95 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.697 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 6.8 p -63.37 -29.97 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.606 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -46.55 88.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.472 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.46 -33.75 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.644 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.08 -19.71 46.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.612 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.15 -63.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' B' ' 81' ' ' LEU . 0.0 OUTLIER -54.58 -23.71 18.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.866 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.6 m -75.32 -48.39 23.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.663 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.51 -28.7 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.02 72.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 98.9 m -93.65 -42.17 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -77.32 96.93 4.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.677 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.478 ' N ' HD21 ' B' ' 87' ' ' ASN . 1.1 m-80 -103.06 97.73 7.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.483 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.475 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 6.6 t80 -80.23 -18.71 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.529 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.475 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 31.0 m-85 -162.48 -7.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -65.86 -42.31 90.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -150.03 128.14 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.759 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.472 ' O ' ' O ' ' B' ' 93' ' ' SER . 0.7 OUTLIER 42.35 53.49 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.672 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.472 ' O ' ' O ' ' B' ' 92' ' ' ASN . 4.4 t . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -146.32 167.9 22.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.47 -27.93 67.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.652 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.3 tt -76.15 -46.22 29.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.488 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -57.93 -48.66 79.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.783 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -69.72 -20.86 63.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.609 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -55.37 -44.59 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.4 mmm -73.6 -30.51 63.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 78.0 mm-40 -65.76 -20.84 66.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.729 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -82.82 -32.42 27.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.708 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mt -67.55 -46.47 72.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.764 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 tt -66.57 -27.61 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 66.9 m-20 -59.36 -39.05 82.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.671 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.504 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 93.2 t -83.56 -27.71 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.702 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -66.24 -62.16 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.542 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.3 p80 -61.43 -12.72 15.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.784 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -59.84 -54.75 42.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.78 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 2.2 p80 -87.19 -40.73 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.653 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -55.0 -31.69 61.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.7 -53.02 26.13 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -62.63 -75.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -126.17 121.69 33.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.461 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.56 -164.4 36.24 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 26' ' ' TYR . 66.3 m-20 -90.25 13.69 14.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.503 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp 57.16 -75.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.538 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' A' ' 24' ' ' ASP . 88.8 m-85 -63.1 -27.15 69.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.497 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -142.41 -172.89 3.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.433 ' O ' HG22 ' A' ' 69' ' ' VAL . 3.4 tp -139.96 151.28 45.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.522 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -74.76 160.79 30.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -83.12 -22.59 33.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.598 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -56.23 -41.06 75.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -74.39 -29.04 61.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.684 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tp -46.01 -35.83 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.65 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.04 -65.95 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' ' OG1' ' A' ' 39' ' ' THR . 55.3 mp0 -66.41 -42.37 87.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.62 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -47.92 -36.65 12.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.293 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.65 -65.26 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.659 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.406 ' HG2' HD13 ' A' ' 45' ' ' LEU . 65.7 mt-30 -64.09 -51.91 61.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 25.7 m -40.73 -45.25 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.788 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.17 -47.09 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD1' HD11 ' A' ' 81' ' ' LEU . 88.1 mt -74.74 -99.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.545 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.44 ' H ' HD21 ' A' ' 45' ' ' LEU . 1.5 t 74.16 37.39 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.634 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.38 -44.38 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 58.2 m-85 -69.81 -27.78 65.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.585 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -82.47 -4.34 57.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.485 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -85.15 13.19 6.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.59 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.96 -77.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 57.3 51.87 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.609 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -59.38 -37.47 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.95 175.11 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 52' ' ' ASP . 7.0 p -137.61 -42.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.473 ' N ' HG13 ' A' ' 51' ' ' VAL . 90.1 m-20 -61.03 -45.9 92.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.514 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.59 -37.97 73.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.42 -23.81 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.532 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -76.3 -37.5 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -61.16 -56.8 16.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.626 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 58' ' ' MET . 12.2 p -55.41 -38.1 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.524 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.443 ' N ' HG13 ' A' ' 57' ' ' VAL . 33.6 tpp -77.26 -34.07 55.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.98 -34.0 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.583 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -53.47 -44.14 68.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.578 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.41 -35.22 73.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.608 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.14 -37.63 87.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.06 -74.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -149.88 106.1 3.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.08 20.01 45.7 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.71 102.63 10.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.05 -161.2 33.85 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.427 ' CD ' ' OD2' ' A' ' 24' ' ' ASP . 94.0 mt-10 -138.5 143.14 39.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 110.559 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 28' ' ' LEU . 16.1 m -84.42 175.83 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.593 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 72' ' ' GLN . 55.9 p30 -147.37 54.05 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.698 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 74' ' ' TYR . 40.5 t80 60.73 -70.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.716 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' A' ' 70' ' ' ASP . 34.2 mt-30 -47.36 -37.67 11.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.0 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -82.63 -18.72 40.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.701 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.581 ' O ' HG23 ' A' ' 78' ' ' VAL . 4.2 t80 -89.49 -33.15 16.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.6 m -77.69 -36.05 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 77' ' ' LEU . 6.2 p -66.95 -42.0 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.668 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.503 ' N ' HG13 ' A' ' 76' ' ' VAL . 90.6 mt -64.87 -38.57 91.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.686 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 74' ' ' TYR . 45.2 t -57.37 -31.01 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.702 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.51 30.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.186 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.38 -19.85 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.965 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 94.1 m -61.18 -54.76 40.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.644 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.2 t -66.33 -31.13 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.18 -39.32 69.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.701 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.541 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 3.2 m -102.92 -56.94 2.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.731 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' CYS . 51.9 t-20 -36.6 132.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.694 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -121.0 88.53 2.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -85.78 -77.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.679 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.4 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -146.33 167.96 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.303 . . . . 0.0 110.599 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.54 -27.84 67.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.653 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.3 tt -76.26 -46.19 29.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.473 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -57.89 -48.67 79.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.762 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -69.77 -20.87 63.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.63 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -55.38 -44.56 76.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.5 mmm -73.64 -30.52 62.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 77.9 mm-40 -65.8 -20.82 66.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.713 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -82.82 -32.36 27.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.751 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mt -67.57 -46.5 72.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.793 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 tt -66.46 -27.72 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.748 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 66.9 m-20 -59.26 -39.1 81.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.656 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.502 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 92.8 t -83.57 -27.65 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.726 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -66.31 -62.1 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.757 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.535 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.4 p80 -61.4 -12.79 15.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.772 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -59.78 -54.8 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.753 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' B' ' 14' ' ' VAL . 2.2 p80 -87.17 -40.67 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -55.1 -31.66 61.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.589 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.61 -53.09 26.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -62.61 -75.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.571 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -126.17 121.69 33.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 -164.44 36.27 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' B' ' 26' ' ' TYR . 66.2 m-20 -90.17 13.59 14.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.744 0.306 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp 57.22 -75.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.557 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.576 ' N ' ' O ' ' B' ' 24' ' ' ASP . 88.7 m-85 -63.16 -27.15 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.494 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -142.4 -172.82 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.435 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.437 ' O ' HG22 ' B' ' 69' ' ' VAL . 3.4 tp -140.02 151.3 45.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -74.78 160.85 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.652 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -83.13 -22.59 33.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' B' ' 31' ' ' LYS . 0.4 OUTLIER -56.3 -40.96 75.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -74.4 -29.11 61.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tp -45.95 -35.91 5.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.621 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.04 -65.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.454 ' O ' ' OG1' ' B' ' 39' ' ' THR . 55.2 mp0 -66.41 -42.39 87.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 110.61 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.8 tp -48.01 -36.55 13.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.305 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.76 -65.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.67 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -64.02 -51.95 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 25.9 m -40.75 -45.28 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.17 -47.05 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.464 ' CD1' HD11 ' B' ' 81' ' ' LEU . 88.3 mt -74.78 -99.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.514 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.442 ' H ' HD21 ' B' ' 45' ' ' LEU . 1.5 t 74.18 37.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.655 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.35 -44.34 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.522 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 58.1 m-85 -69.84 -27.79 65.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.32 . . . . 0.0 110.563 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.607 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -82.49 -4.26 57.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.496 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -85.21 13.21 6.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.59 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.02 -77.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 57.29 51.86 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.644 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -59.41 -37.44 78.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.583 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.9 175.04 10.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.484 HG13 ' N ' ' B' ' 52' ' ' ASP . 7.0 p -137.58 -42.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.484 ' N ' HG13 ' B' ' 51' ' ' VAL . 90.1 m-20 -61.01 -45.85 93.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.58 -38.05 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.45 -23.76 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' B' ' 59' ' ' LYS . 39.3 t0 -76.37 -37.44 57.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.589 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -61.15 -56.77 16.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.434 HG13 ' N ' ' B' ' 58' ' ' MET . 12.2 p -55.4 -38.14 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.434 ' N ' HG13 ' B' ' 57' ' ' VAL . 33.6 tpp -77.22 -34.09 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.587 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' B' ' 55' ' ' ASP . 76.1 tttt -57.97 -33.98 69.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.603 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -53.51 -44.17 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.6 mt -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.15 -37.68 88.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.614 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.97 -74.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -149.89 106.11 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.613 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.13 20.04 45.69 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.76 102.62 10.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.764 0.316 . . . . 0.0 110.541 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.05 -161.25 33.91 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.424 ' CD ' ' OD2' ' B' ' 24' ' ' ASP . 94.1 mt-10 -138.48 143.2 39.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.495 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.437 HG22 ' O ' ' B' ' 28' ' ' LEU . 16.1 m -84.44 175.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' B' ' 72' ' ' GLN . 55.9 p30 -147.42 54.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 40.8 t80 60.75 -70.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.72 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' B' ' 70' ' ' ASP . 34.2 mt-30 -47.46 -37.64 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.025 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -82.63 -18.67 40.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.593 ' O ' HG23 ' B' ' 78' ' ' VAL . 4.3 t80 -89.48 -33.18 16.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.404 HG23 ' N ' ' B' ' 76' ' ' VAL . 22.6 m -77.66 -36.07 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.608 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.504 HG13 ' N ' ' B' ' 77' ' ' LEU . 6.2 p -66.92 -42.01 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.704 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.504 ' N ' HG13 ' B' ' 76' ' ' VAL . 90.6 mt -64.86 -38.6 91.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 74' ' ' TYR . 45.5 t -57.38 -31.02 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.732 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.7 -19.67 30.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.81 -64.78 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.184 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.595 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.38 -19.93 65.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.004 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 94.1 m -61.14 -54.74 40.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.7 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.4 t -66.33 -31.16 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.623 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.37 69.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 3.2 m -102.88 -56.93 2.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.695 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' B' ' 85' ' ' CYS . 52.0 t-20 -36.64 132.34 0.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.664 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -121.01 88.52 2.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -85.77 -77.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.688 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 38.4 t80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.597 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -83.97 153.41 23.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 0.0 110.549 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.13 -33.79 73.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.1 tp -69.66 -34.0 73.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.616 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' B' ' 41' ' ' LEU . 95.6 mt-10 -60.86 -50.2 74.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.713 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -78.65 -20.71 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.76 -43.17 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.527 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 84.7 mmm -75.77 -33.7 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.493 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 95.2 mt-10 -63.79 -28.95 70.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.61 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.8 m -74.97 -30.15 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.51 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.92 -51.37 22.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -64.49 -27.31 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 78.1 m-20 -54.54 -37.76 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.566 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 t -85.37 -25.64 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.559 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.72 -59.46 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.622 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.515 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 5.2 p80 -64.49 -20.14 66.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.51 77.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.733 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -79.67 -48.0 14.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.656 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.7 t -55.65 -34.35 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.77 -4.56 14.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -93.16 -132.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.518 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -80.38 158.39 26.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.64 -167.71 31.24 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.22 134.19 50.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.587 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' CD ' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -86.7 -24.85 25.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.96 -39.39 72.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -143.35 158.42 43.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.552 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.459 ' CG ' ' H ' ' A' ' 29' ' ' SER . 4.1 tp -93.55 -142.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.438 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.459 ' H ' ' CG ' ' A' ' 28' ' ' LEU . 74.2 p -154.07 174.17 15.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.565 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.25 -31.82 15.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.82 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 1.9 mptp? -57.72 -57.32 13.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.647 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -64.15 -32.95 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.742 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -54.47 -45.33 73.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.657 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 37' ' ' LEU . 87.1 tttt -63.64 -25.29 68.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -80.07 -50.16 10.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 pp -74.92 -24.12 58.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.981 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 34' ' ' LYS . 4.3 mt -51.76 -58.34 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.278 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.563 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.9 pt20 -69.43 -46.91 65.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.74 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -54.21 -46.21 72.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.776 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.97 -43.48 65.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 74.4 mt -86.2 -73.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.639 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.563 ' N ' ' O ' ' A' ' 38' ' ' GLN . 5.7 t 50.17 60.78 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.476 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.77 -51.78 0.03 OUTLIER Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -62.18 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.626 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.58 -21.48 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.632 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.27 -8.52 55.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.666 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.63 85.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.732 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -98.25 109.25 22.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.433 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -66.55 -49.23 67.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.625 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -95.04 -173.03 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 52' ' ' ASP . 14.6 p -143.9 -35.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.606 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 51' ' ' VAL . 10.8 p-10 -60.32 -41.6 93.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.506 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.01 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.489 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.9 t -70.0 -30.68 45.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -74.67 -39.67 61.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.668 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' NZ ' ' CB ' ' A' ' 56' ' ' LYS . 9.4 mtpm? -58.52 -53.03 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.706 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.01 -39.8 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.7 mtt -72.33 -40.15 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -59.76 -34.35 72.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -45.53 -39.36 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.8 -47.61 85.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.479 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -65.85 -41.26 91.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.648 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -63.8 -34.03 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.6 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.4 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 6.8 p-10 -162.65 88.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.641 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.41 51.68 0.92 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -87.68 -16.13 35.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.523 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 89.44 -152.04 22.34 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 67' ' ' GLY . 50.2 mt-10 57.09 117.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.757 0.313 . . . . 0.0 110.637 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.4 134.98 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.9 t0 -94.48 161.43 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.525 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 78.9 t80 -53.55 -43.05 68.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.671 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.431 ' O ' HG23 ' A' ' 76' ' ' VAL . 35.8 mt-30 -66.99 -47.26 72.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.682 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.74 -22.61 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.25 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -71.12 -52.74 17.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 72' ' ' GLN . 17.9 m -59.09 -27.36 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.625 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' B' ' 76' ' ' VAL . 53.8 t -67.06 -51.1 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.464 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.12 -42.92 95.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.654 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.7 t -59.61 -31.75 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.95 -19.48 30.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.93 -65.02 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.127 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -62.32 -20.02 63.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.736 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.0 m -68.87 -56.73 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.547 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.19 -27.64 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -13.01 21.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 86' ' ' ASN . 53.2 t -126.32 -33.19 2.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.666 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 85' ' ' CYS . 14.1 t-20 -36.91 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.555 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.2 m120 57.07 55.47 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.579 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -69.24 -72.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.543 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.63 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -83.97 153.39 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.13 -33.72 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.63 -33.98 73.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 41' ' ' LEU . 95.6 mt-10 -60.8 -50.31 73.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.673 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t -78.59 -20.87 49.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.631 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.75 -43.06 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.512 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 84.7 mmm -75.87 -33.76 60.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.449 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 95.3 mt-10 -63.72 -29.01 70.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.634 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.6 m -74.92 -30.17 61.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.9 -51.38 22.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.756 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -64.51 -27.34 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.685 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 77.9 m-20 -54.58 -37.77 65.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.537 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.5 t -85.29 -25.65 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.628 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.74 -59.43 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.498 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 5.2 p80 -64.49 -20.07 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.58 77.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -79.56 -47.96 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.683 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.0 t -55.81 -34.22 65.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.79 -4.59 14.73 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -93.17 -132.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -80.47 158.43 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.476 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.64 -167.73 31.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.25 134.2 50.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.602 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.522 ' CD ' ' H ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -86.77 -24.73 24.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.552 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.99 -39.43 72.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.528 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -143.37 158.36 43.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.603 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.448 ' CG ' ' H ' ' B' ' 29' ' ' SER . 4.1 tp -93.4 -142.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.576 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.448 ' H ' ' CG ' ' B' ' 28' ' ' LEU . 75.1 p -154.07 174.2 15.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.524 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.25 -31.91 15.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.767 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' B' ' 31' ' ' LYS . 1.9 mptp? -57.64 -57.35 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.672 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -64.27 -32.88 74.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.76 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -54.42 -45.36 72.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.614 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.473 ' HA ' HD12 ' B' ' 37' ' ' LEU . 87.1 tttt -63.56 -25.47 68.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.538 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -79.94 -50.11 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.006 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 pp -74.95 -24.14 58.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.958 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' B' ' 34' ' ' LYS . 4.3 mt -51.83 -58.29 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.249 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' B' ' 42' ' ' SER . 10.0 pt20 -69.52 -46.83 65.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.742 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -54.16 -46.25 72.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.771 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -71.93 -43.56 65.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.407 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 74.6 mt -86.24 -73.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.599 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.556 ' N ' ' O ' ' B' ' 38' ' ' GLN . 5.7 t 50.22 60.84 3.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.47 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.82 -51.79 0.03 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -62.24 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.582 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.6 -21.47 66.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.643 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.29 -8.47 55.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.68 85.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.692 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -98.35 109.31 22.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -66.54 -49.31 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -95.02 -173.1 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.615 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.413 HG13 ' N ' ' B' ' 52' ' ' ASP . 14.6 p -143.92 -35.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.58 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.413 ' N ' HG13 ' B' ' 51' ' ' VAL . 10.7 p-10 -60.22 -41.63 93.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.07 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.9 -30.64 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.584 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -74.72 -39.55 61.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.706 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.409 ' NZ ' ' CB ' ' B' ' 56' ' ' LYS . 9.4 mtpm? -58.66 -53.0 63.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.678 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.02 -39.86 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 51.5 mtt -72.29 -40.15 67.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.587 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -59.74 -34.23 72.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.602 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -45.65 -39.37 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.88 -47.46 86.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -66.0 -41.22 91.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -63.88 -33.94 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' B' ' 64' ' ' ASN . 6.8 p-10 -162.6 88.29 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.714 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.5 51.77 0.91 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -87.75 -16.15 35.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.493 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 89.51 -152.01 22.29 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' B' ' 67' ' ' GLY . 50.2 mt-10 57.15 117.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.585 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.35 135.04 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.9 t0 -94.58 161.36 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.542 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.523 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 78.3 t80 -53.44 -43.13 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG23 ' B' ' 76' ' ' VAL . 35.7 mt-30 -66.87 -47.29 72.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.769 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.71 -22.56 63.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.97 0.414 . . . . 0.0 110.257 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -71.27 -52.67 17.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.417 HG22 ' O ' ' B' ' 72' ' ' GLN . 18.0 m -59.02 -27.5 36.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 54.2 t -67.0 -51.04 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.17 -42.96 96.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 71.9 t -59.56 -31.92 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.51 30.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.04 -64.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.108 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.597 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -62.42 -20.09 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.711 0.291 . . . . 0.0 110.701 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.4 m -68.83 -56.67 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.61 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 91.7 t -58.17 -27.67 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.05 -13.09 22.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' B' ' 86' ' ' ASN . 53.3 t -126.27 -33.18 2.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.632 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' B' ' 85' ' ' CYS . 14.0 t-20 -36.88 -77.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.3 m120 57.08 55.45 6.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -69.21 -72.84 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.499 ' HG ' ' CD ' ' A' ' 5' ' ' GLU . 28.9 p -149.06 172.33 14.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.622 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.25 -26.52 66.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.682 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.8 tp -74.18 -33.89 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.603 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.568 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 0.4 OUTLIER -62.68 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.757 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 t -81.31 -20.9 39.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.696 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.02 -43.79 66.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.53 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 79.0 mmm -73.46 -30.95 63.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.02 -30.51 71.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.1 m -78.4 -32.53 48.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.651 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.79 -53.12 44.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.711 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 tt -61.33 -24.53 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -58.02 -37.29 74.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.9 t -85.48 -27.95 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.765 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.59 -59.34 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.6 p80 -62.48 -22.79 66.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.728 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.439 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -63.91 -42.29 97.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.698 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -91.47 -24.82 19.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.69 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.1 p -61.0 -27.09 68.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.53 -161.31 27.26 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt 49.22 -111.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.757 0.313 . . . . 0.0 110.61 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -82.76 164.97 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.18 -148.74 19.31 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -85.86 -178.34 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.86 0.362 . . . . 0.0 110.632 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.36 -48.56 69.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.694 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -141.52 3.93 1.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.943 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -106.26 131.82 53.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.468 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.527 ' O ' HG22 ' A' ' 69' ' ' VAL . 4.6 tp -95.4 145.52 25.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.498 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.447 ' HA ' ' H ' ' A' ' 68' ' ' GLU . 85.7 p -97.88 154.48 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.455 ' H ' ' HA2' ' A' ' 67' ' ' GLY . 67.4 mttm -57.99 -27.38 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.65 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -58.12 -27.2 63.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.413 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -76.88 -44.42 32.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.729 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.439 HD13 HD13 ' A' ' 77' ' ' LEU . 6.5 mt -48.1 -21.44 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.382 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -64.52 -62.16 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -79.22 -44.6 21.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.587 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tp -46.15 -57.3 4.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.508 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 37' ' ' LEU . 29.1 mt -43.95 -64.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.234 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.32 -52.23 62.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.849 0.357 . . . . 0.0 111.081 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.4 m -42.79 -46.4 5.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.247 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -91.15 -50.31 5.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.971 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.524 ' O ' HD21 ' A' ' 45' ' ' LEU . 56.6 mt -96.61 97.27 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.468 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 p -128.29 16.55 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.588 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.85 -36.34 1.71 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -66.78 -47.21 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.656 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.621 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -73.22 -13.88 61.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.39 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.67 -33.47 76.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.393 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' GLN . . . -103.09 -44.13 5.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.615 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' ALA . 7.0 pt20 32.49 79.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.973 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -57.76 -40.54 79.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.652 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -103.68 -172.5 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.13 -47.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.69 -42.39 67.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.692 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -44.82 80.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.66 -27.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.663 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -76.72 -37.77 55.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.665 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -61.29 -50.06 74.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.38 -41.44 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.691 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.0 ttp -77.06 -32.56 56.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.615 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' ASP . 52.1 tttp -65.81 -51.18 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.477 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -45.85 -31.01 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.224 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.63 -34.99 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.45 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' LYS . 91.1 m-20 -66.69 -36.79 83.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.785 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.93 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.472 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 1.6 p30 -93.39 -73.82 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.614 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . 51.14 26.58 12.8 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.68 -75.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.731 0.3 . . . . 0.0 110.582 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 156.18 -178.1 32.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 67' ' ' GLY . 49.4 mt-10 54.62 113.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 110.81 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 28' ' ' LEU . 3.9 m -140.57 153.27 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.502 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -93.18 159.79 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.68 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -55.36 -36.05 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.654 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' VAL . 31.0 mt-30 -62.04 -40.49 95.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.728 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -72.73 -31.27 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 0.0 110.454 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -63.57 -51.28 66.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.394 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 m -60.16 -31.31 47.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.55 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 72' ' ' GLN . 46.8 t -63.88 -55.35 22.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.52 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.439 HD13 HD13 ' A' ' 33' ' ' LEU . 13.9 mt -57.46 -42.35 82.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.664 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.464 ' O ' ' OG1' ' A' ' 82' ' ' THR . 56.0 t -57.32 -33.36 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.54 -19.54 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -64.76 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.224 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.575 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -64.24 -19.91 65.69 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.86 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 90.4 m -66.37 -53.69 33.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.709 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.27 -24.97 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.549 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.88 -35.65 77.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.799 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.2 t -102.74 -20.99 14.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.668 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 82' ' ' THR . 56.6 t-20 -47.28 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.654 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.4 m120 56.39 46.23 21.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -65.56 -77.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.665 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.698 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.481 ' HG ' ' CD ' ' B' ' 5' ' ' GLU . 29.3 p -148.97 172.44 14.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.633 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.4 -26.44 66.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 58.4 tp -74.21 -33.88 63.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.593 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.572 ' OE1' ' N ' ' B' ' 5' ' ' GLU . 0.4 OUTLIER -62.76 -43.18 99.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.728 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.3 t -81.44 -20.83 39.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.653 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.09 -43.78 67.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.492 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 79.0 mmm -73.52 -30.92 63.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.439 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.14 -30.43 71.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.531 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 76.4 m -78.49 -32.46 48.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -65.87 -53.16 43.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 tt -61.3 -24.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -58.11 -37.18 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.751 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.55 -27.93 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.752 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -65.6 -59.43 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.799 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.532 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.6 p80 -62.44 -22.75 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.77 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.435 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -64.04 -42.19 97.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -91.5 -24.86 19.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.653 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.2 p -60.94 -27.11 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.61 -161.29 27.42 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt 49.18 -111.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 0.0 110.519 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -82.74 164.92 20.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.21 -148.75 19.31 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -85.8 -178.41 6.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.35 . . . . 0.0 110.626 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.34 -48.55 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.668 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -141.57 3.92 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.909 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -106.28 131.7 53.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 110.523 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.517 ' O ' HG22 ' B' ' 69' ' ' VAL . 4.6 tp -95.25 145.53 25.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.494 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.445 ' HA ' ' H ' ' B' ' 68' ' ' GLU . 85.7 p -97.94 154.35 17.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.601 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.461 ' H ' ' HA2' ' B' ' 67' ' ' GLY . 67.4 mttm -57.97 -27.33 63.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.681 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -58.02 -27.27 63.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.435 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -76.94 -44.45 31.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.65 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.443 HD13 HD13 ' B' ' 77' ' ' LEU . 6.5 mt -48.04 -21.5 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.416 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -64.55 -62.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.609 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -79.18 -44.69 21.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tp -46.18 -57.24 4.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.49 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.408 HD12 ' O ' ' B' ' 33' ' ' LEU . 29.1 mt -44.05 -64.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.156 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.39 -52.15 62.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.774 0.321 . . . . 0.0 111.075 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.5 m -42.87 -46.39 5.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.186 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -91.1 -50.38 5.88 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.961 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.529 ' O ' HD21 ' B' ' 45' ' ' LEU . 56.6 mt -96.58 97.15 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.534 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.8 p -128.27 16.67 6.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.91 -36.27 1.71 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -66.73 -47.27 72.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.626 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.605 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -73.23 -13.93 61.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.338 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.62 -33.45 75.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.415 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' B' ' 48' ' ' GLN . . . -103.09 -44.16 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' B' ' 47' ' ' ALA . 7.0 pt20 32.35 80.03 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.925 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.434 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.7 OUTLIER -57.82 -40.52 80.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.639 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -103.73 -172.48 2.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.612 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.12 -47.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.81 -42.38 68.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.617 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.7 -44.86 80.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.68 -27.14 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -76.59 -37.88 55.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.721 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -61.34 -49.93 74.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.49 -41.35 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.664 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 63.9 ttp -77.04 -32.63 57.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.663 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' B' ' 62' ' ' ASP . 52.2 tttp -65.75 -51.16 61.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.585 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -45.88 -30.92 1.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.272 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.72 -35.02 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.393 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' B' ' 59' ' ' LYS . 91.3 m-20 -66.57 -36.87 83.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.752 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.85 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.686 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.473 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 1.6 p30 -93.41 -73.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.473 ' H ' ' CG ' ' B' ' 64' ' ' ASN . . . 51.21 26.59 13.41 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -66.62 -75.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 156.3 -178.15 32.94 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' B' ' 67' ' ' GLY . 49.4 mt-10 54.67 113.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.742 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.517 HG22 ' O ' ' B' ' 28' ' ' LEU . 4.0 m -140.58 153.18 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -93.14 159.83 15.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.729 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -55.35 -36.2 66.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.582 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.503 ' O ' HG23 ' B' ' 76' ' ' VAL . 31.0 mt-30 -61.94 -40.53 95.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.702 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -72.75 -31.31 64.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.418 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.54 -51.38 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.1 m -60.05 -31.26 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.619 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 72' ' ' GLN . 47.0 t -63.93 -55.29 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.53 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.443 HD13 HD13 ' B' ' 33' ' ' LEU . 13.8 mt -57.51 -42.36 82.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.567 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.439 ' O ' ' OG1' ' B' ' 82' ' ' THR . 55.7 t -57.34 -33.46 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.742 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.38 -19.56 31.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.96 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.24 -64.65 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.211 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.576 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -64.25 -20.0 65.76 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.879 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 90.1 m -66.3 -53.8 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.673 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.22 -25.0 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.563 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.81 -35.69 77.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.768 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -102.66 -20.91 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.753 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -47.43 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.612 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 34.5 m120 56.43 46.18 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.523 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -65.57 -77.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.648 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -142.37 159.61 41.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.331 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.93 -32.09 71.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.677 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.8 tt -78.48 -42.95 28.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.402 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.84 -42.98 94.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.728 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -77.23 -20.77 54.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.611 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.27 -47.9 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.441 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.8 mmm -70.23 -32.03 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 69.3 mm-40 -65.34 -19.54 66.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -79.89 -45.73 18.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.9 -43.43 83.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.511 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.63 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.52 -42.21 93.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.26 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 53.9 m-20 -54.77 -43.48 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.3 t -76.25 -33.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -54.96 -53.77 51.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.738 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.523 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.4 p80 -71.44 -23.45 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.68 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.488 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -58.93 -38.82 79.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -88.87 -47.32 8.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.7 m -60.82 -39.75 90.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.592 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.78 -32.88 80.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -52.06 149.43 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.521 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -41.45 117.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.478 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.14 -119.53 1.04 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 90.8 m-20 -60.14 158.56 11.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.583 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -84.6 -62.08 1.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.674 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -136.77 24.13 3.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.675 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 46.8 mmtt -130.2 137.38 50.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.717 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 tp -98.26 135.03 40.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -77.51 168.72 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.611 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -86.5 -40.6 15.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.769 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -53.43 -44.44 68.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.608 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -66.62 -30.04 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 77' ' ' LEU . 6.0 tp -52.81 -50.01 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.626 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.26 -25.5 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.804 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.0 mt-10 -79.17 -41.03 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.54 -26.48 30.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.989 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.23 -57.38 12.04 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HG2' HD13 ' A' ' 45' ' ' LEU . 71.5 mt-30 -68.69 -45.88 70.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 11.0 m -55.86 -46.27 78.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.78 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -73.83 -36.53 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.645 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 42' ' ' SER . 79.6 mt -93.15 -103.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 1.4 p 81.68 33.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.626 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.64 -55.39 0.04 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -57.47 -35.83 70.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.568 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.602 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -80.21 -28.15 38.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -73.4 0.41 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.601 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.54 42.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -70.02 125.79 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.617 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -96.09 -48.64 5.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.542 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -79.25 161.95 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.715 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.4 -35.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.354 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -69.0 -58.12 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.496 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.86 -31.18 66.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.491 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 57' ' ' VAL . 74.8 t -71.16 -22.08 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.649 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -80.36 -37.0 33.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -48.18 -51.45 25.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.709 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 54' ' ' VAL . 4.5 p -53.4 -34.68 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.902 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.7 mtt -73.91 -35.02 64.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.805 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -52.76 -58.79 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.522 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -49.91 -32.7 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.387 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.48 -45.32 65.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.439 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 59.3 t0 -71.43 -38.08 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.605 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -58.16 -32.4 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -117.41 -103.74 0.41 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.515 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.63 3.46 68.78 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -150.07 71.5 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -173.99 176.87 46.43 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -106.32 175.85 5.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.8 146.7 30.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.24 168.56 11.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -58.97 -38.48 79.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.761 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 76' ' ' VAL . 31.2 mt-30 -70.67 -47.5 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.795 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 1.5 mp0 -70.65 -20.4 62.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 0.0 110.261 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -73.33 -52.96 12.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 72' ' ' GLN . 20.1 m -58.15 -29.76 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.613 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.1 t -63.27 -51.72 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.613 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 33' ' ' LEU . 98.6 mt -57.73 -42.37 83.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.556 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 65.7 t -62.23 -31.17 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.629 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.72 -19.3 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.59 -64.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.75 -19.84 65.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.967 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' ASN . 57.4 m -71.12 -52.01 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.708 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 79' ' ' ALA . 92.4 t -58.77 -36.82 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.665 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.49 95.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.8 m -92.24 -6.18 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 82' ' ' THR . 41.8 t30 -64.26 137.97 58.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.639 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -133.45 36.55 3.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -55.59 -41.76 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.5 t80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -142.33 159.66 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.609 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.93 -32.18 71.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.681 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.8 tt -78.5 -42.91 28.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.443 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -59.83 -42.94 94.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.719 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.1 t -77.23 -20.87 54.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.26 -47.86 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.412 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.9 mmm -70.32 -31.97 69.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 69.3 mm-40 -65.27 -19.66 66.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.533 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -79.95 -45.65 18.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.496 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.6 mt -66.97 -43.35 83.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.619 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -61.62 -42.21 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.148 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.457 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 53.8 m-20 -54.74 -43.46 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.527 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 74.8 t -76.31 -33.43 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.87 -53.83 50.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.752 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.53 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.4 p80 -71.35 -23.44 61.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.711 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.484 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.02 -38.8 80.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.467 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -88.78 -47.4 8.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.8 m -60.8 -39.81 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.8 -32.78 80.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -51.89 149.36 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 110.574 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -41.54 117.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.499 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.13 -119.45 1.03 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' B' ' 27' ' ' LYS . 90.8 m-20 -60.12 158.49 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.628 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -84.55 -62.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.709 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -136.79 24.2 3.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.607 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' B' ' 24' ' ' ASP . 46.8 mmtt -130.33 137.34 49.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.639 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.3 tp -98.23 135.09 40.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.469 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -77.65 168.78 19.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.653 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -86.45 -40.74 15.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -53.44 -44.43 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -66.53 -30.08 70.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.584 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' B' ' 77' ' ' LEU . 6.0 tp -52.85 -50.07 64.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.15 -25.63 66.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.765 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -79.2 -40.99 29.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.014 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.54 -26.47 30.1 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.005 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.22 -57.42 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.365 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -68.65 -45.93 70.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 11.2 m -55.87 -46.16 78.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.773 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -73.97 -36.47 64.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.587 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' B' ' 42' ' ' SER . 79.5 mt -93.07 -103.84 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 1.4 p 81.64 33.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.62 -55.55 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -57.35 -35.86 70.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.603 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -80.24 -28.05 38.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.492 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -73.39 0.31 12.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.5 42.1 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.53 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -69.98 125.81 27.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.556 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -96.09 -48.6 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -79.31 161.88 25.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.63 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.32 -35.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.358 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 0.9 OUTLIER -68.96 -58.16 4.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.436 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.97 -31.07 66.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.521 ' O ' HG12 ' B' ' 57' ' ' VAL . 76.5 t -71.02 -22.34 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.688 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -80.23 -36.95 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.997 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -48.14 -51.42 24.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.521 HG12 ' O ' ' B' ' 54' ' ' VAL . 4.5 p -53.4 -34.76 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.89 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 58.7 mtt -73.82 -35.08 64.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -52.71 -58.86 5.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -49.82 -32.7 14.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.411 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.56 -45.16 65.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.434 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 59.4 t0 -71.65 -38.02 70.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -58.09 -32.42 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.6 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -117.43 -103.75 0.41 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.64 3.41 68.81 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -150.01 71.49 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.766 0.317 . . . . 0.0 110.485 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -173.99 176.85 46.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -106.33 175.82 5.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.768 0.318 . . . . 0.0 110.624 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.76 146.71 30.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -91.22 168.57 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.531 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.92 -38.44 78.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.469 ' O ' HG23 ' B' ' 76' ' ' VAL . 31.2 mt-30 -70.82 -47.35 59.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.769 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.419 ' CD ' ' N ' ' B' ' 73' ' ' GLU . 1.5 mp0 -70.81 -20.41 62.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.98 0.419 . . . . 0.0 110.185 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -73.3 -52.92 12.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.363 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 72' ' ' GLN . 19.8 m -58.19 -29.74 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.644 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 72' ' ' GLN . 55.0 t -63.15 -51.78 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.459 HD13 ' CD2' ' B' ' 33' ' ' LEU . 98.3 mt -57.71 -42.4 83.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.523 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 65.7 t -62.21 -31.23 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.666 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.427 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.6 -19.38 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.52 -64.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.275 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.565 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.8 -19.97 65.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.908 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.404 ' O ' ' N ' ' B' ' 86' ' ' ASN . 58.2 m -71.12 -51.97 21.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.669 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 79' ' ' ALA . 92.6 t -58.79 -36.81 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.652 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.36 -40.53 96.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.729 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 83.9 m -92.29 -6.08 51.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.701 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' B' ' 82' ' ' THR . 41.8 t30 -64.27 138.01 58.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.69 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -133.5 36.51 3.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -55.52 -41.81 73.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.622 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -69.48 162.12 28.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.332 . . . . 0.0 110.641 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.72 -28.34 69.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -72.61 -30.28 64.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.651 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -67.16 -52.84 36.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.675 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.43 -21.39 63.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.87 76.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.3 mmm -73.98 -31.65 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.542 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.23 -27.25 68.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.642 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.9 m -78.5 -41.1 33.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.729 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.33 -54.44 45.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 13' ' ' ASN . 17.8 tt -59.18 -39.25 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.67 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.447 ' N ' HG23 ' A' ' 12' ' ' ILE . 47.6 t30 -49.21 -37.6 23.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -80.71 -37.09 16.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.562 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -65.4 -60.53 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.529 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.07 -30.89 62.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.439 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.38 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -80.07 -37.24 34.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -66.58 -25.16 66.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.02 93.12 1.59 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -147.66 -96.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -157.96 35.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.53 -139.75 3.51 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.37 86.53 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.738 0.304 . . . . 0.0 110.603 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -69.97 -17.32 63.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.619 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -69.73 -26.45 64.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -142.07 -167.42 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 tp -140.39 149.99 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.624 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.4 p -74.84 170.28 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.619 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -88.82 -33.79 17.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -60.44 -51.58 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.786 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -64.69 -26.66 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.746 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.684 ' O ' HD23 ' A' ' 33' ' ' LEU . 1.3 tt -55.02 -38.31 67.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.566 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -77.3 -25.55 51.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.7 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -70.73 -43.47 68.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.076 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 pp -77.88 -33.3 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.027 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.72 -58.86 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.485 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.53 -49.35 66.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.7 m -55.45 -45.9 76.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.48 -43.78 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' OG ' ' A' ' 42' ' ' SER . 89.9 mt -81.19 -90.18 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.727 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 41' ' ' LEU . 7.8 p 65.49 36.75 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.535 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.1 -62.03 0.02 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -49.22 -47.95 45.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.769 0.319 . . . . 0.0 110.619 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.51 -28.33 69.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 8.3 t0 -72.03 -2.11 17.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.65 55.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.617 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -79.5 138.45 37.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -88.01 -74.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -72.87 144.94 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.557 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -107.59 -38.72 4.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.45 -43.72 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.48 92.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.2 t -66.48 -35.13 74.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.587 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -70.81 -36.15 72.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.654 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.39 -57.46 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.56 -37.14 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.8 mtt -76.1 -36.03 59.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.736 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -60.42 -41.09 93.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.63 -41.09 63.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.59 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.0 mt -76.7 -37.54 55.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -67.18 -38.21 85.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.666 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -55.01 -31.22 60.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -160.66 71.78 0.44 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.53 -34.22 88.83 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.489 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 51.2 p-10 -75.79 77.55 2.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.781 0.324 . . . . 0.0 110.639 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.5 -166.89 23.1 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -140.76 159.73 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.8 154.38 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -95.89 177.44 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -54.36 -53.72 50.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -57.72 -40.54 79.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.565 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.51 -18.45 61.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.258 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.434 ' CZ ' HG21 ' A' ' 78' ' ' VAL . 3.6 t80 -86.98 -58.93 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.464 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.528 HG23 ' N ' ' A' ' 76' ' ' VAL . 35.0 m -49.13 -44.91 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.528 ' N ' HG23 ' A' ' 75' ' ' VAL . 7.3 p -57.15 -37.04 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.795 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.3 mt -70.33 -39.91 74.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.434 HG21 ' CZ ' ' A' ' 74' ' ' TYR . 84.0 t -61.86 -30.47 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.596 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.4 30.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.66 -64.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.137 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.583 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -62.78 -19.62 64.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.811 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 79.6 m -66.65 -50.59 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.643 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.56 -37.84 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.628 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.55 -35.24 75.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.4 m -93.44 -26.21 17.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 38.4 t-20 -55.5 141.79 35.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 47.2 p-10 -142.97 43.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.565 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -62.6 -69.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.607 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 t80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 72.8 m -69.55 162.1 28.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.345 . . . . 0.0 110.638 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.79 -28.19 69.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -72.61 -30.44 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.567 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -67.08 -52.78 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.48 -21.37 63.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.698 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.31 -45.83 76.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.611 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 31.3 mmm -73.9 -31.74 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.24 -27.14 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.677 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.8 m -78.57 -41.07 32.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.37 -54.41 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.709 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.462 HG23 ' N ' ' B' ' 13' ' ' ASN . 17.8 tt -59.22 -39.28 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.685 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.462 ' N ' HG23 ' B' ' 12' ' ' ILE . 47.6 t30 -49.12 -37.66 22.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 79.3 t -80.68 -37.09 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -65.37 -60.51 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.01 -31.03 62.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.316 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.25 95.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.605 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -80.1 -37.22 34.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.612 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -66.66 -25.15 66.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.46 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.06 93.11 1.59 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -147.63 -96.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.559 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -157.97 35.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.46 -139.67 3.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.34 86.54 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -70.12 -17.23 63.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -69.79 -26.39 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -142.12 -167.46 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.532 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 tp -140.34 149.99 43.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 82.6 p -74.91 170.24 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -88.83 -33.71 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.639 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -60.42 -51.61 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -64.64 -26.71 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.716 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.674 ' O ' HD23 ' B' ' 33' ' ' LEU . 1.3 tt -54.97 -38.28 67.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.602 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -77.38 -25.56 51.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.735 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -70.66 -43.51 69.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 pp -77.87 -33.21 52.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.027 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' B' ' 37' ' ' LEU . 12.9 mt -52.73 -58.79 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.604 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.52 -49.3 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.895 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 28.1 m -55.61 -45.93 77.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.48 -43.65 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.871 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.435 ' O ' ' OG ' ' B' ' 42' ' ' SER . 90.2 mt -81.33 -90.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.656 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' B' ' 41' ' ' LEU . 7.6 p 65.38 36.87 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.25 -61.99 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -49.16 -47.96 45.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.724 0.297 . . . . 0.0 110.601 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.57 -28.28 69.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 8.4 t0 -72.09 -2.06 17.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.7 55.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.641 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -79.45 138.47 37.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.647 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -88.06 -74.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -72.98 144.92 47.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.477 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -107.57 -38.65 4.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.658 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.53 -43.63 98.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.697 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.4 92.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.56 -35.08 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.581 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -70.76 -36.22 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.691 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.28 -57.58 12.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.43 -37.21 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.664 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 46.9 mtt -76.13 -35.95 59.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.698 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -60.58 -41.0 93.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.63 -41.07 63.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 59.3 mt -76.73 -37.63 55.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.5 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -67.09 -38.21 85.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -55.03 -31.25 60.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.633 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -160.6 71.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.41 -34.37 89.15 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 51.1 p-10 -75.74 77.62 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.643 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.52 -166.94 23.2 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -140.78 159.67 41.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.79 154.41 29.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -95.89 177.4 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -54.23 -53.86 47.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -57.57 -40.63 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -72.45 -18.51 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.309 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.441 ' CZ ' HG21 ' B' ' 78' ' ' VAL . 3.5 t80 -87.11 -58.81 2.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.396 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.539 HG23 ' N ' ' B' ' 76' ' ' VAL . 35.0 m -49.2 -44.88 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.821 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.539 ' N ' HG23 ' B' ' 75' ' ' VAL . 7.3 p -57.14 -37.12 54.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.754 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.403 ' N ' HG13 ' B' ' 76' ' ' VAL . 85.5 mt -70.33 -39.87 74.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.66 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.441 HG21 ' CZ ' ' B' ' 74' ' ' TYR . 83.9 t -61.8 -30.58 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.625 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.77 -19.44 30.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.62 -64.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.575 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -62.83 -19.75 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.812 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.7 m -66.48 -50.63 62.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 110.662 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 98.4 t -63.61 -37.68 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.17 75.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.45 -26.23 17.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 38.5 t-20 -55.46 141.8 35.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.465 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 47.1 p-10 -143.0 43.91 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -62.56 -70.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.564 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.569 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.581 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 p -73.58 158.31 35.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.757 0.313 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -56.72 -26.7 57.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.574 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -76.04 -34.45 59.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.519 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.581 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 48.0 mt-10 -63.0 -45.52 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.711 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 t -77.92 -20.81 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.63 -36.13 64.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.4 mmm -82.61 -32.62 28.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.588 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -61.98 -22.05 65.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.513 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.0 m -76.24 -39.16 55.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.499 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.38 -46.73 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.678 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -58.94 -39.05 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.213 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.405 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 73.3 m-20 -66.2 -44.34 84.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.14 -41.46 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.27 -44.8 65.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.35 -33.35 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.19 76.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.681 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -89.33 -41.75 11.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.673 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 p -64.2 -28.52 69.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.613 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.54 -27.91 59.05 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.75 -175.99 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 110.65 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.76 132.33 51.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.596 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.47 -163.34 25.77 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' A' ' 27' ' ' LYS . 10.6 t70 -70.94 135.59 48.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -82.19 -48.05 11.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.717 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -77.34 -10.97 59.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.584 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 92.2 mttt -143.9 -173.54 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.726 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 28' ' ' LEU . 14.8 tp -134.15 140.04 46.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.399 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.3 p -66.34 173.33 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.499 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -90.42 -26.97 19.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.07 -28.81 66.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.671 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.54 -33.65 75.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.712 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 33' ' ' LEU . 4.3 mm? -53.28 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -53.96 -25.48 20.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -81.4 -56.56 3.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.171 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.33 -37.13 77.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.972 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.4 mt -47.93 -64.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 110.587 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.28 -53.58 53.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -50.21 -38.43 40.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -82.19 -48.66 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 41' ' ' LEU . 5.9 mp -85.9 -81.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.827 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.484 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 4.8 t 56.89 27.0 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.115 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.02 -46.46 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -63.49 -51.1 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.49 -24.28 67.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.894 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' A' ' 42' ' ' SER . 84.0 m-20 -68.3 -5.93 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.415 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.39 71.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -84.01 105.53 14.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.58 -42.97 99.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -105.61 133.25 50.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.3 p -91.24 -30.01 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' A' ' 53' ' ' ALA . 22.4 p-10 -73.23 -54.05 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.719 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -44.55 -49.98 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.646 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.08 -29.16 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -64.02 -36.87 85.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.17 -62.41 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.552 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 58' ' ' MET . 7.5 p -58.42 -38.85 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.54 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.434 ' N ' HG13 ' A' ' 57' ' ' VAL . 10.1 ttp -67.3 -37.33 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.632 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.68 -41.31 99.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -52.1 -38.04 56.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.492 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 65' ' ' GLY . 51.9 mt -69.7 -36.64 76.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.68 -40.3 91.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.42 -35.47 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -164.59 73.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.496 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -54.38 -34.74 54.77 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -88.99 133.53 34.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.575 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.21 -165.53 33.83 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -133.67 156.94 46.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.465 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 m -137.82 151.51 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -93.85 -172.15 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.497 ' CE2' HG11 ' A' ' 75' ' ' VAL . 49.2 t80 -63.3 -54.84 30.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.654 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -56.12 -49.55 73.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.542 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -65.12 -18.35 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.391 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -87.8 -63.48 1.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.637 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.577 HG23 ' N ' ' A' ' 76' ' ' VAL . 34.6 m -48.34 -48.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.896 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.577 ' N ' HG23 ' A' ' 75' ' ' VAL . 6.3 p -59.04 -29.21 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.479 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 77' ' ' LEU . 1.7 tt -73.2 -41.0 64.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.412 ' O ' ' OG1' ' A' ' 82' ' ' THR . 57.2 t -63.08 -27.5 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.72 -19.47 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.75 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.34 -64.68 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.552 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -62.27 -19.39 63.18 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.817 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 51.1 m -73.08 -45.43 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.745 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 79' ' ' ALA . 77.7 t -62.9 -30.99 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.88 -31.68 63.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 t -96.5 -25.12 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.533 ' ND2' ' CE1' ' A' ' 88' ' ' PHE . 7.3 t-20 -68.13 131.76 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.468 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 94.3 m-20 -149.96 44.33 0.9 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CE1' ' ND2' ' A' ' 86' ' ' ASN . 8.6 m-85 -57.8 -35.22 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.55 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.4 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.622 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' GLY . . . . . 0.583 ' N ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.5 p -73.64 158.34 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.533 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -56.74 -26.71 57.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.5 tp -75.99 -34.45 59.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' B' ' 1' ' ' GLY . 47.9 mt-10 -63.02 -45.53 91.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.4 t -77.83 -20.94 52.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.52 -36.18 63.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.6 mmm -82.59 -32.7 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.502 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -62.02 -21.93 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.514 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.8 m -76.27 -39.14 55.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.457 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.5 -46.76 53.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.53 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.63 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -58.94 -39.05 76.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.216 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.41 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 73.3 m-20 -66.19 -44.37 84.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.76 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.09 -41.54 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.68 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -52.26 -44.78 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.34 -33.39 75.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.627 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.25 76.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -89.34 -41.64 12.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.719 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.6 p -64.25 -28.46 69.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.66 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.61 -27.82 59.13 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.77 -176.01 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.592 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.78 132.34 51.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.49 -163.27 25.78 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' B' ' 27' ' ' LYS . 10.6 t70 -71.03 135.63 47.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.506 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -82.2 -47.94 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.787 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -77.53 -10.87 59.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.681 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.58 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 92.2 mttt -143.96 -173.57 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.679 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -134.07 140.01 46.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.345 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 55.5 p -66.2 173.38 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.53 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -90.53 -26.82 19.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.656 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.22 -28.73 66.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.618 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.65 -33.57 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.737 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.435 HD22 ' N ' ' B' ' 33' ' ' LEU . 4.3 mm? -53.28 -61.56 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -54.07 -25.44 21.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -81.41 -56.51 4.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.143 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.24 -37.19 77.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.991 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 27.5 mt -47.93 -64.8 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.585 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -62.43 -53.51 53.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 22.2 m -50.14 -38.43 39.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -82.13 -48.76 10.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.985 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 41' ' ' LEU . 6.0 mp -85.88 -81.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.947 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.493 ' O ' ' OG ' ' B' ' 42' ' ' SER . 4.8 t 56.84 27.08 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.104 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.04 -46.37 0.08 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -63.65 -51.07 66.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.42 -24.27 67.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 42' ' ' SER . 83.9 m-20 -68.35 -5.88 21.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.496 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.41 71.48 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.469 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -83.99 105.51 14.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -61.5 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.421 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -105.64 133.29 50.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 14.4 p -91.24 -30.0 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.601 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.411 ' CG ' ' N ' ' B' ' 53' ' ' ALA . 22.4 p-10 -73.21 -54.01 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.726 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' B' ' 52' ' ' ASP . . . -44.64 -50.07 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.54 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.12 -29.09 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.47 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.97 -36.97 85.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.19 -62.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.431 HG13 ' N ' ' B' ' 58' ' ' MET . 7.5 p -58.39 -38.87 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.598 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.431 ' N ' HG13 ' B' ' 57' ' ' VAL . 10.1 ttp -67.27 -37.32 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.657 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.7 -41.35 99.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -52.11 -37.98 55.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.537 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 65' ' ' GLY . 51.8 mt -69.82 -36.58 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.519 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.66 -40.29 91.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.46 -35.35 73.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -164.72 73.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.512 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -54.43 -34.81 55.14 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -89.0 133.54 34.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.26 -165.5 33.84 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -133.67 156.95 46.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.313 . . . . 0.0 110.49 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.81 151.44 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -93.81 -172.08 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.488 ' CE2' HG11 ' B' ' 75' ' ' VAL . 49.4 t80 -63.41 -54.8 31.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.622 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.03 -49.65 73.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -64.96 -18.58 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.389 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -87.63 -63.47 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.635 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.577 HG23 ' N ' ' B' ' 76' ' ' VAL . 33.8 m -48.53 -48.6 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.943 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.577 ' N ' HG23 ' B' ' 75' ' ' VAL . 6.3 p -59.01 -29.2 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.633 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.588 ' O ' HD23 ' B' ' 77' ' ' LEU . 1.7 tt -73.2 -41.04 64.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.98 -27.63 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.59 -19.52 30.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.35 -64.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.282 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.545 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -62.25 -19.57 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 0.0 110.817 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.2 m -72.97 -45.41 58.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 79' ' ' ALA . 78.6 t -62.94 -30.94 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.627 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.99 -31.64 63.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 37.5 t -96.53 -25.02 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.53 ' ND2' ' CE1' ' B' ' 88' ' ' PHE . 7.3 t-20 -68.12 131.7 45.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' B' ' 86' ' ' ASN . 94.1 m-20 -150.01 44.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.53 ' CE1' ' ND2' ' B' ' 86' ' ' ASN . 8.5 m-85 -57.8 -35.1 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.637 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 26.1 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -65.77 150.5 48.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.381 . . . . 0.0 110.54 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 7.3 mp0 -67.12 -30.07 69.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.418 HD11 HD23 ' B' ' 11' ' ' LEU . 6.7 tp -60.36 -29.19 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.624 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.89 -49.01 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.408 ' H ' HG22 ' A' ' 6' ' ' THR . 4.2 t -80.46 -21.0 42.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.753 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.46 -35.7 30.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -83.63 -27.97 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 99.3 mt-10 -64.82 -27.38 68.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.728 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 m -79.42 -27.26 41.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.723 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.423 HD23 HD11 ' B' ' 4' ' ' LEU . 9.5 mt -71.45 -46.51 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.652 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.2 tt -68.94 -32.0 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.809 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 48.8 m-20 -54.81 -37.28 65.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.706 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -86.21 -23.97 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.811 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -70.15 -63.26 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.734 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.593 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 3.4 p80 -57.2 -29.48 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.593 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -59.05 -43.43 91.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -81.48 -31.7 32.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.706 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p -67.43 -21.53 65.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.699 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.29 19.13 55.09 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' A' ' 22' ' ' GLU . 83.7 tttt -149.11 125.16 10.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.66 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.481 ' O ' ' O ' ' A' ' 21' ' ' LYS . 96.8 mt-10 35.88 96.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.87 -175.05 27.39 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -67.39 -135.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 110.492 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -158.58 -47.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -72.17 -24.98 61.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.454 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -144.08 -176.91 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.51 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -128.98 142.98 50.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.7 p -68.55 166.91 16.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.66 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.494 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 49.9 mttm -89.84 -35.07 15.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.669 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -56.15 -54.43 45.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -61.6 -32.64 72.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.645 ' O ' HD23 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -57.69 -36.84 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.398 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -73.65 -25.32 60.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.51 -42.29 43.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.383 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.77 -24.08 41.75 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.245 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -54.04 -52.55 60.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -69.98 -45.62 66.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -59.99 -41.17 91.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -83.48 -50.27 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.701 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.08 96.8 7.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.5 t -123.93 -6.68 7.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.473 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.32 -15.21 59.1 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -88.55 -25.62 22.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.008 0.432 . . . . 0.0 110.131 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.446 HD23 ' N ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -87.35 -28.24 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.908 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.43 -28.39 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.555 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.39 41.13 3.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.558 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -59.87 132.64 54.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.51 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -90.95 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' O ' HG23 ' A' ' 54' ' ' VAL . 23.7 m-20 -88.51 145.02 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.577 HG13 ' N ' ' A' ' 52' ' ' ASP . 14.9 p -99.69 -45.32 11.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.677 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.577 ' N ' HG13 ' A' ' 51' ' ' VAL . 76.9 m-20 -67.46 -41.42 84.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.597 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.36 96.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.604 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 50' ' ' ASP . 91.5 t -64.04 -28.84 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.529 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -82.16 -20.1 38.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.419 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -55.59 -55.03 36.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 p -55.6 -35.35 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 47.9 mmm -62.16 -32.75 73.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.375 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -60.29 -39.21 86.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.494 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -56.95 -45.94 82.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -62.93 -38.24 90.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.631 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -58.34 -43.52 88.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.46 -37.64 85.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -94.26 -119.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.89 20.5 50.03 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 55.2 p30 -166.46 72.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.643 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.34 -168.55 37.27 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.6 mp0 -133.06 160.75 36.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.894 0.378 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.494 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 29.9 m -134.31 154.39 37.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -93.0 172.48 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -54.49 -39.53 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.525 ' O ' HG23 ' A' ' 76' ' ' VAL . 31.4 mt-30 -65.47 -44.97 85.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.14 -25.36 62.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.378 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -69.27 -53.41 19.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.382 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 72' ' ' GLN . 19.7 m -56.9 -29.81 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.649 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.9 t -61.47 -47.8 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.682 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.67 -31.59 71.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.704 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.457 ' O ' ' OG1' ' A' ' 82' ' ' THR . 54.2 t -66.67 -30.94 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.701 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.85 -19.37 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.85 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.099 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.53 -20.02 65.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.864 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 39.8 m -68.82 -46.89 67.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.7 t -68.83 -31.32 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.637 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.07 -34.14 59.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.7 t -95.28 -38.03 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.657 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.56 143.8 39.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.676 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -143.9 64.62 1.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.434 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -90.38 -65.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.748 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 p90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.748 -179.758 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -65.71 150.43 48.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.331 . . . . 0.0 110.585 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.523 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 7.3 mp0 -67.1 -30.07 69.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.423 HD11 HD23 ' A' ' 11' ' ' LEU . 6.7 tp -60.29 -29.21 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.674 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.83 -48.99 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.1 t -80.52 -21.04 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.716 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.34 -35.79 29.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 80.7 mmm -83.6 -28.01 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.582 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 99.3 mt-10 -64.76 -27.34 68.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.749 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.4 m -79.4 -27.24 41.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.418 HD23 HD11 ' A' ' 4' ' ' LEU . 9.5 mt -71.46 -46.63 59.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.3 tt -68.86 -32.02 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.752 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 48.4 m-20 -54.8 -37.23 65.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.75 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.9 t -86.24 -23.96 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.783 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -70.12 -63.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.755 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.602 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 3.3 p80 -57.28 -29.32 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.769 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.602 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.16 -43.51 92.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.755 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -81.45 -31.64 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.673 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.3 p -67.46 -21.58 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.629 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.23 19.1 55.2 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 22' ' ' GLU . 83.7 tttt -149.09 125.16 10.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.658 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' B' ' 21' ' ' LYS . 96.8 mt-10 35.81 96.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.788 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.83 -175.06 27.34 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -67.39 -135.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.512 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -158.62 -47.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.626 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -72.22 -24.94 61.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -144.08 -176.87 5.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.556 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tp -128.99 143.01 50.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.503 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 75.2 p -68.6 166.91 16.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.653 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.493 ' NZ ' ' CG1' ' B' ' 69' ' ' VAL . 49.9 mttm -89.83 -34.99 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -56.28 -54.33 46.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -61.59 -32.67 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.56 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.641 ' O ' HD23 ' B' ' 33' ' ' LEU . 1.0 OUTLIER -57.63 -36.85 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.487 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -73.52 -25.44 60.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.52 -42.18 44.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.416 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.86 -24.13 41.46 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.23 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 37' ' ' LEU . 9.1 mt -53.95 -52.56 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -70.05 -45.53 66.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.2 m -59.91 -41.37 91.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -83.37 -50.3 8.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.74 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.12 96.85 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.442 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.4 t -124.0 -6.65 7.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.34 -15.27 58.98 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -88.43 -25.7 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.966 0.412 . . . . 0.0 110.107 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.449 HD23 ' N ' ' B' ' 45' ' ' LEU . 0.8 OUTLIER -87.38 -28.22 22.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.904 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -63.42 -28.39 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.563 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.38 41.07 3.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.615 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -59.77 132.49 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.526 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -90.88 -62.08 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.459 ' O ' HG23 ' B' ' 54' ' ' VAL . 23.8 m-20 -88.64 145.07 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.562 HG13 ' N ' ' B' ' 52' ' ' ASP . 14.9 p -99.67 -45.41 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.562 ' N ' HG13 ' B' ' 51' ' ' VAL . 77.0 m-20 -67.42 -41.47 84.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.591 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.34 97.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.616 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 50' ' ' ASP . 91.3 t -64.1 -28.76 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.544 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -82.22 -20.12 38.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -55.49 -55.06 36.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.498 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.65 -35.32 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 47.6 mmm -62.2 -32.79 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.355 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -60.26 -39.18 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.559 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -57.02 -45.8 82.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -62.97 -38.31 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -58.3 -43.57 88.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.73 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.36 -37.65 85.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -94.37 -119.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.556 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.89 20.53 49.98 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 55.1 p30 -166.47 72.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.825 0.345 . . . . 0.0 110.607 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.3 -168.53 37.22 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -133.02 160.75 36.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.481 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.493 ' CG1' ' NZ ' ' B' ' 30' ' ' LYS . 30.0 m -134.38 154.4 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.498 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -93.04 172.54 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -54.5 -39.53 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.521 ' O ' HG23 ' B' ' 76' ' ' VAL . 31.4 mt-30 -65.48 -44.96 85.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.07 -25.41 62.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -69.27 -53.45 19.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.364 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.414 HG22 ' O ' ' B' ' 72' ' ' GLN . 19.7 m -56.82 -29.87 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.644 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.2 t -61.51 -47.76 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.654 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.71 -31.52 71.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' B' ' 82' ' ' THR . 54.2 t -66.67 -31.06 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.658 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.61 -19.57 30.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.84 -64.75 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.217 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.586 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.63 -20.03 65.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.781 0.324 . . . . 0.0 110.855 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 39.5 m -68.84 -46.86 67.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.2 t -68.89 -31.32 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.573 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.16 -34.05 59.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.637 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 51.5 t -95.35 -37.89 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.637 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.58 143.9 39.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -143.93 64.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.441 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -90.32 -65.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.741 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 p90 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 -179.781 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -149.9 167.54 26.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.785 0.326 . . . . 0.0 110.579 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -59.21 -34.79 72.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.78 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.9 tm? -74.49 -48.92 24.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.269 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.488 ' OE2' ' O ' ' B' ' 41' ' ' LEU . 97.1 mt-10 -55.96 -53.03 61.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.678 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -65.02 -23.14 67.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -50.74 -52.44 40.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.637 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -68.39 -30.9 69.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.79 -29.4 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 m -76.87 -32.61 57.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.82 -53.67 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.704 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -58.79 -25.37 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.572 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 58.7 t30 -61.87 -37.3 84.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.701 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -85.46 -28.52 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.22 -63.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.539 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.3 p80 -61.39 -21.04 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.655 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -64.93 -44.14 90.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.733 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -90.39 -21.24 22.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.666 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -62.97 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.688 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.29 59.53 0.36 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -158.56 -81.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.766 0.317 . . . . 0.0 110.707 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.54 -43.55 8.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.593 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . -69.44 -168.75 6.23 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 25' ' ' LYS . 21.8 t70 -56.35 -120.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.527 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' N ' ' OD2' ' A' ' 24' ' ' ASP . 51.2 tttm -145.48 -36.1 0.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -109.14 -13.71 14.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -144.06 155.35 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -106.07 150.3 25.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.616 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -87.78 149.81 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' A' ' 68' ' ' GLU . 23.2 mtmm -68.84 -27.25 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -52.29 -38.72 59.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.27 -29.61 26.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HA ' HD21 ' A' ' 36' ' ' LEU . 56.2 tp -51.83 -36.45 48.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -78.69 -25.45 44.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.32 -46.6 15.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.072 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' A' ' 33' ' ' LEU . 3.1 pp -74.96 -25.97 59.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.975 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mt -54.32 -53.56 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' SER . 42.8 mt-30 -69.42 -47.35 64.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.5 m -57.98 -45.48 86.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -70.41 -43.01 70.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.742 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 67.4 mt -86.37 -76.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.9 m 54.09 54.21 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.54 -49.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.478 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 46.2 m-85 -60.72 -25.28 66.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -83.06 -19.54 36.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.424 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.83 9.47 6.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.611 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.507 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -166.34 74.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.582 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -96.02 130.33 43.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.542 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.55 -77.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.611 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.488 ' O ' HG23 ' A' ' 54' ' ' VAL . 67.5 m-20 -74.24 134.35 42.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.634 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 52' ' ' ASP . 9.1 p -88.83 -37.2 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.673 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.507 ' CG ' ' N ' ' A' ' 53' ' ' ALA . 16.7 p-10 -64.02 -56.15 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.657 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.507 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -53.65 -40.77 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.612 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 50' ' ' ASP . 79.5 t -69.24 -23.59 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 59' ' ' LYS . 43.9 t0 -78.55 -33.69 47.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.722 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -54.27 -64.03 0.96 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.57 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 58' ' ' MET . 5.9 p -49.04 -37.72 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.714 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.412 ' N ' HG13 ' A' ' 57' ' ' VAL . 63.7 mtt -75.07 -34.13 61.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ASP . 8.5 ttmm -57.17 -39.24 74.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -55.65 -40.94 72.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.37 -40.29 95.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.502 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.33 -41.63 80.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.604 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -67.42 -50.1 60.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.676 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -103.25 -110.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.604 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.75 18.69 56.02 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -56.72 -34.72 67.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.6 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.402 ' HA2' ' H ' ' A' ' 30' ' ' LYS . . . 96.56 60.15 1.0 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.522 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 80.8 tt0 -168.38 113.38 0.63 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.748 0.309 . . . . 0.0 110.565 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.54 147.57 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.435 ' OD1' ' CD ' ' A' ' 73' ' ' GLU . 4.8 p-10 -92.11 -170.19 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.636 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -73.71 -46.06 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -62.95 -45.14 93.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.765 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' CD ' ' OD1' ' A' ' 70' ' ' ASP . 99.4 mt-10 -71.24 -18.37 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.453 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -82.02 -53.63 5.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.583 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 76' ' ' VAL . 27.3 m -59.09 -45.1 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.998 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.497 ' N ' HG23 ' A' ' 75' ' ' VAL . 9.8 p -59.28 -37.43 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.741 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' VAL . 45.1 mt -69.52 -38.85 77.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.757 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' A' ' 82' ' ' THR . 76.2 t -63.01 -26.66 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.48 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.87 -65.02 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.23 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.01 -19.55 64.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.812 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 32.1 m -69.13 -51.24 40.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.725 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.52 -38.7 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.77 -30.04 71.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 48.5 t -109.62 17.43 21.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -89.31 132.54 34.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 4.9 p30 -118.69 60.11 0.81 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.48 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -85.03 -69.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.0 t80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.946 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -149.95 167.51 26.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.581 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -59.11 -34.9 72.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.777 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -74.44 -48.93 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.219 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.476 ' OE2' ' O ' ' A' ' 41' ' ' LEU . 97.1 mt-10 -55.86 -53.19 59.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.69 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -64.96 -23.19 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.778 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -50.67 -52.54 38.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.643 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.8 mmm -68.31 -30.83 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.717 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -65.89 -29.37 69.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 58.3 m -76.86 -32.61 57.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.596 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.95 -53.47 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.402 HD13 HG21 ' B' ' 12' ' ' ILE . 3.2 tt -58.87 -25.39 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.534 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 58.7 t30 -61.94 -37.26 84.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 95.3 t -85.39 -28.6 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.794 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.17 -62.96 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.889 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.535 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.2 p80 -61.42 -20.97 63.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.729 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' B' ' 13' ' ' ASN . . . -65.09 -44.11 89.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.692 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -90.35 -21.22 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -63.03 -30.33 71.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.23 59.65 0.35 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -158.68 -81.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.699 0.285 . . . . 0.0 110.685 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.63 -43.57 8.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.517 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.477 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . -69.35 -168.69 6.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.533 ' OD2' ' N ' ' B' ' 25' ' ' LYS . 21.8 t70 -56.47 -120.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.579 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.533 ' N ' ' OD2' ' B' ' 24' ' ' ASP . 51.2 tttm -145.51 -36.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -109.15 -13.78 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.539 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -143.94 155.33 44.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.705 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -106.12 150.29 25.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -87.84 149.66 24.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.496 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.496 ' NZ ' ' O ' ' B' ' 68' ' ' GLU . 23.3 mtmm -68.63 -27.33 65.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.688 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -52.31 -38.75 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.21 -29.7 26.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.419 ' HA ' HD21 ' B' ' 36' ' ' LEU . 55.9 tp -51.7 -36.54 47.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -78.65 -25.38 44.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.711 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.36 -46.52 15.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' B' ' 33' ' ' LEU . 3.1 pp -74.98 -25.98 59.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.019 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mt -54.37 -53.57 52.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.326 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' B' ' 42' ' ' SER . 42.8 mt-30 -69.42 -47.36 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.846 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 27.4 m -57.86 -45.53 86.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.46 -42.95 70.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.78 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.488 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 67.2 mt -86.29 -76.56 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.7 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.456 ' N ' ' O ' ' B' ' 38' ' ' GLN . 4.0 m 54.11 54.22 9.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.528 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.53 -49.72 0.02 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.473 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 46.2 m-85 -60.7 -25.29 66.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.734 0.302 . . . . 0.0 110.612 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.6 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -82.94 -19.6 36.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.541 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -80.81 9.38 6.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.492 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -166.29 74.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.592 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -95.93 130.36 42.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.54 -77.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.636 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.486 ' O ' HG23 ' B' ' 54' ' ' VAL . 67.5 m-20 -74.26 134.47 42.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.424 HG13 ' N ' ' B' ' 52' ' ' ASP . 9.3 p -88.95 -37.18 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.614 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.508 ' CG ' ' N ' ' B' ' 53' ' ' ALA . 16.7 p-10 -64.13 -56.1 17.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' B' ' 52' ' ' ASP . . . -53.69 -40.72 66.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 50' ' ' ASP . 79.0 t -69.33 -23.47 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -78.55 -33.78 47.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.689 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -54.31 -64.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.504 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' B' ' 58' ' ' MET . 5.8 p -49.04 -37.75 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.658 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.41 ' N ' ' CG1' ' B' ' 57' ' ' VAL . 63.7 mtt -75.1 -34.1 61.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.643 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -57.24 -39.19 75.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.61 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.63 -41.02 72.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.477 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.37 -40.32 95.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.475 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.18 -41.69 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.67 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -67.52 -49.92 61.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.724 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -103.31 -110.7 0.24 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.72 18.69 56.07 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -56.64 -34.82 67.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.66 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.64 60.15 0.99 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.496 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 80.9 tt0 -168.37 113.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.75 0.309 . . . . 0.0 110.482 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.4 147.6 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.538 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.438 ' OD1' ' CD ' ' B' ' 73' ' ' GLU . 4.9 p-10 -92.09 -170.15 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.617 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -73.81 -46.05 47.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.752 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -62.83 -45.23 93.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.782 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.438 ' CD ' ' OD1' ' B' ' 70' ' ' ASP . 99.4 mt-10 -71.19 -18.45 62.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -81.87 -53.77 5.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.498 HG23 ' N ' ' B' ' 76' ' ' VAL . 27.2 m -59.0 -45.11 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.054 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.498 ' N ' HG23 ' B' ' 75' ' ' VAL . 9.8 p -59.37 -37.26 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.766 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.421 ' N ' HG13 ' B' ' 76' ' ' VAL . 44.8 mt -69.72 -38.72 77.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.679 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.468 ' O ' ' OG1' ' B' ' 82' ' ' THR . 76.9 t -62.97 -26.82 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.589 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.66 -19.57 30.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.87 -64.82 0.82 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.322 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.578 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.07 -19.77 64.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.767 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 32.2 m -69.03 -51.34 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.685 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.38 -38.73 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.91 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 48.5 t -109.62 17.29 21.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.613 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -89.24 132.43 34.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 87' ' ' ASN . 4.9 p30 -118.66 60.16 0.81 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -85.08 -69.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.671 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -76.51 166.76 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.622 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 7' ' ' ALA . 93.3 mt-10 -57.17 -25.18 58.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -52.49 -59.77 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.453 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -48.19 -45.29 33.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.724 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.444 ' H ' HG23 ' A' ' 6' ' ' THR . 0.6 OUTLIER -78.0 -25.36 47.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 -179.671 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -51.62 -33.98 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.451 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.6 mmm -85.06 -32.32 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.547 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.66 -29.29 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 14' ' ' VAL . 32.2 m -69.55 -33.22 72.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -78.23 -52.16 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -55.46 -41.71 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.149 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 49.3 m-20 -60.91 -45.37 94.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.531 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 10' ' ' THR . 78.7 t -66.87 -37.09 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.468 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 18.3 t80 -53.14 -45.23 68.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.509 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -72.78 -22.11 60.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.519 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -65.91 -34.44 78.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.72 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -90.51 -33.16 16.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.64 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.8 p -61.93 -36.56 81.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.687 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.07 -36.04 84.95 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -59.32 -61.35 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -149.85 168.49 23.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.605 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.69 -171.14 52.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 27' ' ' LYS . 94.9 m-20 -67.1 146.63 54.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 110.499 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.51 -71.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.683 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -64.95 -44.71 88.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.614 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.487 ' O ' ' O ' ' A' ' 24' ' ' ASP . 51.1 mmtt -94.56 166.35 12.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.76 135.04 29.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.375 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.7 p -72.95 165.72 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -88.69 -1.58 58.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.627 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -79.15 -43.89 23.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -60.45 -25.93 66.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 33' ' ' LEU . 4.2 mm? -54.85 -57.65 10.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -55.61 -25.41 38.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.27 -52.21 7.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.288 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 40' ' ' GLU . 3.0 pp -74.05 -33.13 63.59 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.269 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mt -50.76 -44.44 58.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.411 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -74.3 -39.02 63.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.0 m -70.6 -25.12 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.778 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' LEU . 77.1 mm-40 -98.83 -50.38 4.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.6 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.513 ' O ' HD21 ' A' ' 45' ' ' LEU . 49.0 mt -107.05 106.84 17.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.0 t -131.08 34.49 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.448 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.78 -45.11 0.13 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -59.08 -38.0 78.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.434 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.581 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.51 -3.04 31.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.395 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -87.9 -7.53 57.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.525 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.08 62.72 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -78.69 111.03 14.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -95.31 -51.12 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -73.08 -176.57 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.57 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -140.41 -53.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.321 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -52.43 -46.1 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.568 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.89 86.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.69 -26.08 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.573 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 51' ' ' VAL . 56.5 t0 -82.91 -36.08 25.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.651 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -57.2 -57.45 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.734 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 58' ' ' MET . 8.0 p -52.56 -36.5 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.633 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.416 ' N ' HG13 ' A' ' 57' ' ' VAL . 65.1 mtt -70.56 -42.32 71.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -59.8 -26.22 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.686 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -50.68 -37.49 41.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 61' ' ' LEU . 9.5 mp -65.63 -41.68 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -68.64 -39.2 80.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.677 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.83 -90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -63.47 -81.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.39 12.61 84.39 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -165.13 9.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 0.0 110.619 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.59 -177.81 51.79 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -142.47 166.38 24.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 110.604 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.82 150.42 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.447 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 70' ' ' ASP . 5.6 p-10 -98.98 -56.63 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.592 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -167.64 -41.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 76' ' ' VAL . 38.1 mt-30 -68.07 -51.26 48.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.794 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.475 ' OE1' ' OD1' ' A' ' 70' ' ' ASP . 55.3 mp0 -67.82 -18.85 64.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.404 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -74.49 -49.74 20.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.455 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 72' ' ' GLN . 18.8 m -64.42 -25.98 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.737 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 72' ' ' GLN . 56.0 t -58.88 -47.51 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.83 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 8.1 mp -62.74 -56.24 19.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.5 t -46.01 -39.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.5 -19.22 39.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -65.11 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.458 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.57 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -68.65 -19.98 64.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.657 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 86' ' ' ASN . 74.3 m -70.36 -61.81 1.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.935 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 p -56.88 -24.24 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.684 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.06 83.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 2.8 m -127.61 17.25 6.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.928 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 82' ' ' THR . 25.2 t-20 -66.4 -49.78 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.487 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 41.2 61.23 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.625 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -72.51 -39.01 67.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.9 t80 . . . . . 0 C--N 1.332 -0.177 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.681 -179.84 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -76.44 166.81 22.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 110.535 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' B' ' 7' ' ' ALA . 93.3 mt-10 -57.15 -25.15 58.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.489 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.496 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -52.57 -59.85 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.434 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -48.06 -45.4 32.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.727 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.444 ' H ' HG23 ' B' ' 6' ' ' THR . 0.6 OUTLIER -77.96 -25.23 48.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.759 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' B' ' 3' ' ' GLU . . . -51.74 -33.99 37.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 61.5 mmm -85.03 -32.3 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.595 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.59 -29.4 70.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.633 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.504 ' O ' HG23 ' B' ' 14' ' ' VAL . 32.3 m -69.51 -33.33 72.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.403 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.2 mt -78.14 -52.26 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.641 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -55.44 -41.63 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.226 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.436 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 5.2 m120 -60.97 -45.36 95.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.441 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 10' ' ' THR . 78.3 t -66.92 -37.19 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.479 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' B' ' 15' ' ' PHE . 18.5 t80 -53.14 -45.12 68.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -72.81 -22.08 60.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -65.91 -34.51 78.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.693 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -90.42 -33.13 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.723 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.7 p -61.92 -36.62 81.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.666 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.07 -35.99 84.85 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -59.42 -61.19 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -150.04 168.57 23.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.46 -171.09 52.81 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.6 m-20 -67.02 146.63 54.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.553 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.51 -71.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.696 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -64.97 -44.71 88.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' B' ' 24' ' ' ASP . 51.1 mmtt -94.5 166.23 12.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.63 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.74 134.99 29.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.8 p -72.82 165.67 24.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -88.66 -1.62 58.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.667 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -79.08 -44.04 22.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.547 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -60.37 -25.93 66.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.418 HD22 ' N ' ' B' ' 33' ' ' LEU . 4.2 mm? -54.87 -57.72 10.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.388 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -55.51 -25.55 37.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.993 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -81.15 -52.24 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.357 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 40' ' ' GLU . 3.0 pp -74.04 -33.03 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.275 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mt -50.88 -44.48 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.369 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -74.24 -39.07 63.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.665 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 24.0 m -70.54 -25.13 62.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.749 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' B' ' 36' ' ' LEU . 77.1 mm-40 -98.93 -50.36 4.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.596 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.502 ' O ' HD21 ' B' ' 45' ' ' LEU . 48.9 mt -107.0 106.83 17.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.54 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.2 t -131.09 34.53 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.509 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.74 -45.18 0.13 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.12 -37.89 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.478 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.582 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -75.59 -3.01 31.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.36 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -87.91 -7.43 57.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.12 62.64 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.481 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -78.69 110.96 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.56 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -95.26 -51.18 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -73.04 -176.57 2.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.573 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' B' ' 55' ' ' ASP . 0.4 OUTLIER -140.44 -53.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.287 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -52.53 -46.06 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.566 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.02 -41.79 86.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.62 -26.15 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' B' ' 51' ' ' VAL . 56.5 t0 -82.87 -36.17 25.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -57.18 -57.43 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.411 HG13 ' N ' ' B' ' 58' ' ' MET . 8.0 p -52.54 -36.65 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.517 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.411 ' N ' HG13 ' B' ' 57' ' ' VAL . 65.0 mtt -70.48 -42.25 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.68 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.83 -26.25 65.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -50.59 -37.53 40.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.585 HD12 ' N ' ' B' ' 61' ' ' LEU . 9.5 mp -65.53 -41.77 92.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.645 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -68.58 -39.27 81.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.694 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.82 -90.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -63.47 -81.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.592 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.5 12.47 84.5 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -165.08 9.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.547 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.63 -177.82 51.77 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -142.43 166.36 24.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.56 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.83 150.4 28.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.513 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 70' ' ' ASP . 5.6 p-10 -98.89 -56.67 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -167.67 -41.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.525 ' O ' HG23 ' B' ' 76' ' ' VAL . 38.0 mt-30 -68.13 -51.26 48.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.775 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.467 ' OE1' ' OD1' ' B' ' 70' ' ' ASP . 55.3 mp0 -67.76 -18.91 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.989 0.424 . . . . 0.0 110.382 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -74.41 -49.72 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.451 HG22 ' O ' ' B' ' 72' ' ' GLN . 18.9 m -64.45 -25.85 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.77 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 72' ' ' GLN . 56.0 t -58.99 -47.48 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.452 HD12 ' N ' ' B' ' 77' ' ' LEU . 8.0 mp -62.77 -56.27 19.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.551 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.5 t -46.04 -39.86 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.751 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.49 -19.36 38.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -65.05 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.564 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.571 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -68.7 -20.0 64.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.661 -179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.465 ' O ' ' N ' ' B' ' 86' ' ' ASN . 75.5 m -70.35 -61.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.982 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 p -57.01 -24.31 20.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.652 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.13 83.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.798 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 2.9 m -127.55 17.25 6.98 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 82' ' ' THR . 25.4 t-20 -66.24 -49.96 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.509 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 41.24 61.22 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.575 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -72.46 -38.93 68.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.665 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 77.9 t80 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.692 -179.831 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -71.88 161.47 30.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.518 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.84 -21.64 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 46.9 tp -79.31 -31.02 43.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.706 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' B' ' 41' ' ' LEU . 81.9 mt-10 -65.4 -51.9 57.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -65.84 -20.72 66.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.585 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -55.98 -54.21 47.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mmt -64.74 -33.9 77.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.622 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.44 -31.38 70.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.1 m -78.35 -37.37 44.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.75 -45.91 87.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 tt -73.34 -22.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.43 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 56.4 t30 -57.33 -42.18 81.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.736 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.451 ' H ' HG22 ' A' ' 14' ' ' VAL . 9.0 m -81.97 -34.54 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -56.61 -62.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.856 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 4.7 p80 -56.64 -31.4 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.523 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.619 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -64.37 -49.93 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.643 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -70.18 -45.91 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 m -59.14 -30.27 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.95 -25.47 23.83 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 22' ' ' GLU . 22.2 mtpp -64.83 170.55 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.615 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 21' ' ' LYS . 14.3 pt-20 -38.47 159.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.596 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.63 -171.41 37.91 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -71.32 118.51 14.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.508 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -72.48 -20.55 61.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -70.79 -45.57 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.612 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -110.94 163.0 14.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.67 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -129.41 138.27 51.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.38 174.64 3.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -99.56 -30.6 12.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -58.34 -45.71 87.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.671 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.82 -29.97 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.674 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.45 -46.07 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.691 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.41 -25.55 68.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -77.74 -51.69 10.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.975 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 pp -71.27 -25.8 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.008 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.97 -39.86 91.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.469 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.49 -27.37 41.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.8 m -87.57 -27.14 22.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.877 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -81.88 -50.17 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.582 ' N ' HD12 ' A' ' 41' ' ' LEU . 9.9 mp -81.38 -63.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.891 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.454 ' O ' ' OG ' ' A' ' 42' ' ' SER . 8.8 t 43.37 31.84 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.448 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . -145.1 -62.89 0.02 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.545 ' C ' ' H ' ' A' ' 46' ' ' ASP . 24.3 m-85 -49.53 -46.18 48.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.648 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 45' ' ' LEU . 1.6 pp -58.13 0.37 0.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.652 ' N ' HD12 ' A' ' 45' ' ' LEU . 16.4 t70 -87.69 3.43 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.66 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.32 76.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.658 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.93 89.27 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.438 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -84.92 -68.56 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.649 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' O ' HG23 ' A' ' 54' ' ' VAL . 79.4 m-20 -56.29 127.53 31.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 52' ' ' ASP . 9.4 p -94.18 -40.67 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' N ' HG13 ' A' ' 51' ' ' VAL . 95.5 m-20 -57.95 -44.92 87.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.604 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.15 -41.35 86.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 50' ' ' ASP . 79.7 t -68.98 -26.02 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.653 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -76.7 -38.44 54.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -61.9 -57.78 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 58' ' ' MET . 8.7 p -57.39 -39.53 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.514 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.466 ' N ' HG13 ' A' ' 57' ' ' VAL . 70.4 mmm -71.5 -39.49 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.455 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -63.5 -49.28 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -45.76 -27.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.236 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.08 -41.95 76.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.513 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -72.13 -34.74 68.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.727 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.01 -28.48 69.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.722 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.502 ' C ' ' H ' ' A' ' 66' ' ' ASP . 23.9 m-80 -145.97 51.76 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.64 7.05 1.11 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 64' ' ' ASN . 52.5 t0 -149.72 84.44 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.583 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.07 -152.09 7.8 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -144.91 167.47 22.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.792 0.33 . . . . 0.0 110.536 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -141.05 155.15 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -97.18 -167.44 1.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.85 -51.68 60.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.652 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.92 -40.14 92.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.696 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.16 -18.24 60.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.387 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -84.15 -46.52 11.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.682 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 76' ' ' VAL . 31.4 m -69.03 -41.04 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.27 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.478 ' N ' HG23 ' A' ' 75' ' ' VAL . 9.8 p -56.97 -40.86 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.863 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.473 ' N ' HG13 ' A' ' 76' ' ' VAL . 72.5 mt -59.98 -44.71 94.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.642 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.1 t -67.52 -34.49 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.576 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.01 -26.3 68.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.02 -64.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -50.18 -21.89 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.812 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.806 ' N ' HD23 ' A' ' 81' ' ' LEU . 19.3 m -78.15 -57.89 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.628 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.7 t -56.7 -24.43 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.802 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.81 -49.3 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.1 m -97.59 -5.09 36.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.87 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' THR . 23.3 t-20 -51.91 -44.98 64.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.55 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.575 ' C ' HD21 ' A' ' 87' ' ' ASN . 0.3 OUTLIER 51.36 52.94 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.495 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -75.14 -71.36 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 79.3 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.756 -179.869 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -72.02 161.45 30.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.592 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -59.64 -21.7 60.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.706 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 46.8 tp -79.32 -30.95 43.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.483 ' OE2' ' O ' ' A' ' 41' ' ' LEU . 82.0 mt-10 -65.53 -51.8 57.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.563 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.6 t -65.88 -20.82 66.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -55.92 -54.26 46.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mmt -64.7 -33.89 77.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.609 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.61 -31.32 70.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.8 m -78.29 -37.36 45.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.75 -45.86 87.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.708 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 tt -73.38 -22.07 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.712 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.428 ' O ' ' NE2' ' B' ' 16' ' ' HIS . 56.4 t30 -57.34 -42.18 81.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.41 HG22 ' H ' ' B' ' 14' ' ' VAL . 9.2 m -82.0 -34.51 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.839 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -56.56 -63.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.792 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.637 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 4.7 p80 -56.52 -31.41 64.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.56 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.637 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -64.51 -49.89 69.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -70.24 -45.81 65.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.9 m -59.26 -30.17 68.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.99 -25.43 23.98 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' B' ' 22' ' ' GLU . 22.2 mtpp -64.85 170.7 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.629 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' B' ' 21' ' ' LYS . 14.3 pt-20 -38.65 159.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.627 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.75 -171.39 37.69 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -71.44 118.45 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.477 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -72.42 -20.59 61.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.683 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -70.71 -45.63 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -111.0 163.04 14.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tp -129.4 138.16 51.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.31 174.7 3.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.624 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -99.6 -30.61 12.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.581 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.446 ' HZ2' ' HA ' ' B' ' 66' ' ' ASP . 63.5 mttp -58.45 -45.63 88.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -66.84 -29.98 70.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.602 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.56 -45.99 77.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.662 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.45 -25.54 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -77.73 -51.69 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 40' ' ' GLU . 2.8 pp -71.29 -25.83 62.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.979 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.97 -39.83 91.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.46 -27.45 41.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 25.3 m -87.35 -27.29 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.951 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 36' ' ' LEU . 67.6 mm-40 -81.86 -50.17 9.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 41' ' ' LEU . 9.9 mp -81.39 -63.48 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.847 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.471 ' O ' ' OG ' ' B' ' 42' ' ' SER . 8.7 t 43.31 31.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.443 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' B' ' 46' ' ' ASP . . . -145.11 -62.9 0.02 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.522 ' C ' ' H ' ' B' ' 46' ' ' ASP . 24.3 m-85 -49.51 -46.18 48.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.772 0.32 . . . . 0.0 110.56 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.667 ' C ' HD12 ' B' ' 45' ' ' LEU . 1.6 pp -58.15 0.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.661 ' N ' HD12 ' B' ' 45' ' ' LEU . 16.3 t70 -87.66 3.52 47.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.712 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.38 76.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.68 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.9 89.18 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -84.84 -68.61 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.632 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -56.42 127.6 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.497 HG13 ' N ' ' B' ' 52' ' ' ASP . 9.2 p -94.19 -40.66 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.497 ' N ' HG13 ' B' ' 51' ' ' VAL . 95.5 m-20 -57.89 -44.92 87.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.622 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.31 86.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 79.6 t -69.1 -25.91 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -76.68 -38.59 54.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.531 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -61.84 -57.81 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.749 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.459 HG13 ' N ' ' B' ' 58' ' ' MET . 8.5 p -57.31 -39.59 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.536 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.459 ' N ' HG13 ' B' ' 57' ' ' VAL . 70.5 mmm -71.51 -39.48 70.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.483 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -63.45 -49.29 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -45.84 -26.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.202 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.06 -42.0 76.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.519 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -72.11 -34.75 68.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.01 -28.55 69.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.659 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.507 ' C ' ' H ' ' B' ' 66' ' ' ASP . 23.9 m-80 -145.91 51.78 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 7.1 1.12 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' B' ' 64' ' ' ASN . 52.4 t0 -149.76 84.46 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.557 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.03 -152.1 7.79 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -144.9 167.46 22.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.56 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -141.07 155.2 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -97.23 -167.46 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.495 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.79 -51.73 60.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.86 -40.28 92.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.661 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.01 -18.45 60.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.354 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -83.99 -46.52 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.759 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.47 HG23 ' N ' ' B' ' 76' ' ' VAL . 31.3 m -69.03 -41.12 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.143 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.47 ' N ' HG23 ' B' ' 75' ' ' VAL . 9.8 p -56.93 -40.94 75.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 110.855 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.469 ' N ' HG13 ' B' ' 76' ' ' VAL . 72.5 mt -59.79 -44.75 93.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.688 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.56 -34.41 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.685 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.99 -26.33 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.98 -64.45 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.367 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.788 HD23 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -50.26 -21.87 1.54 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.846 179.698 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.788 ' N ' HD23 ' B' ' 81' ' ' LEU . 19.5 m -78.06 -57.93 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 66.0 t -56.7 -24.5 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.79 -49.33 62.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.3 m -97.48 -5.24 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.924 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 82' ' ' THR . 23.2 t-20 -51.92 -44.83 64.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.585 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.565 ' C ' HD21 ' B' ' 87' ' ' ASN . 0.3 OUTLIER 51.15 53.01 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -75.12 -71.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 79.5 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.73 -179.851 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -81.95 153.11 26.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 0.0 110.598 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.24 -26.51 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -66.18 -28.96 69.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.505 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -67.77 -59.11 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.731 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -64.91 -29.17 70.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.99 -48.96 21.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -34.51 78.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.399 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -66.14 -24.5 66.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.494 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.6 m -76.31 -33.45 59.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.05 -51.65 30.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.802 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 tt -62.61 -26.88 41.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.701 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -57.01 -39.3 74.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.738 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 71.9 t -83.73 -32.11 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.51 -62.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.701 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.538 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.6 p80 -58.55 -20.91 50.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -67.27 -45.44 76.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.706 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -90.15 -16.29 29.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.734 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 p -61.67 -28.25 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.599 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.68 -120.55 0.1 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 59.01 -121.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.704 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -76.98 45.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.648 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.75 -150.14 32.41 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 57.33 47.78 16.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.487 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -73.07 -11.16 60.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -92.61 -55.04 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.646 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -107.29 170.85 7.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.631 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -137.82 135.83 36.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.448 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -76.43 156.53 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.648 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -79.63 -30.27 41.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.709 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -56.18 -22.97 32.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -85.03 -35.86 21.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.743 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD21 ' CD1' ' A' ' 74' ' ' TYR . 6.8 mt -54.12 -55.95 22.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.507 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -55.47 -25.37 36.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.661 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.31 -54.16 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.79 -25.75 63.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.099 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' LEU . 10.6 mt -57.38 -44.11 84.16 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.314 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -75.21 -46.21 35.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.9 m -64.84 -37.96 89.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.078 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -92.48 -50.37 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.867 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 tp -98.88 99.5 10.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.335 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -133.26 55.24 1.91 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.26 -36.25 0.2 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.539 ' C ' ' H ' ' A' ' 46' ' ' ASP . 77.1 m-85 -83.4 -43.49 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.736 0.303 . . . . 0.0 110.523 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.657 HD12 ' C ' ' A' ' 45' ' ' LEU . 1.6 pp -59.61 0.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.492 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.65 ' N ' HD12 ' A' ' 45' ' ' LEU . 9.0 t70 -93.8 4.14 54.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.43 65.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.585 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -86.47 80.91 8.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.564 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.05 -40.87 71.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.612 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -83.19 137.13 34.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.547 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.6 -54.91 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.416 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -52.53 -44.47 65.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.73 99.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.83 -22.29 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.695 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.8 -34.96 64.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -59.73 -54.09 50.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.694 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.1 p -59.06 -39.31 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.753 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 58' ' ' MET . 11.3 tmm? -71.14 -40.44 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -61.39 -38.36 86.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.16 -35.82 27.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 65' ' ' GLY . 57.6 mt -63.23 -39.65 95.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.481 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.63 -39.99 95.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.52 -38.0 89.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -167.79 76.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.618 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -67.76 -32.69 78.49 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -91.44 12.66 19.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.333 . . . . 0.0 110.589 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.66 153.05 41.87 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -98.0 156.62 16.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.473 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.1 150.41 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.603 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -96.35 -172.79 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.416 ' O ' HG22 ' A' ' 75' ' ' VAL . 51.7 t80 -60.04 -56.5 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -57.37 -44.67 84.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -67.9 -18.39 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.365 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.42 ' CD1' HD21 ' A' ' 33' ' ' LEU . 5.1 t80 -87.28 -64.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 76' ' ' VAL . 28.3 m -43.92 -43.8 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 77' ' ' LEU . 8.8 p -58.56 -41.8 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.896 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.497 ' N ' HG13 ' A' ' 76' ' ' VAL . 16.6 mt -62.66 -47.89 81.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.511 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.402 ' O ' ' OG1' ' A' ' 82' ' ' THR . 53.0 t -52.41 -27.53 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.39 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.62 -19.38 31.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.62 -64.63 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -64.5 -19.56 65.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.154 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 96.6 m -68.76 -53.84 19.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.677 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 82.4 t -61.13 -24.41 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.73 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.46 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' ASN . 2.7 m -94.49 -26.34 16.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.859 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' CYS . 4.0 t-20 -36.37 -55.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.708 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' ASN . 22.4 t-20 39.76 44.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.583 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -76.17 -61.29 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.707 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.702 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -81.9 153.08 26.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.17 -26.62 68.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.578 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.5 tp -66.09 -28.94 69.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -67.83 -59.09 3.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.736 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -64.95 -29.16 70.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.642 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.93 -48.95 21.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.491 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -34.49 77.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -66.18 -24.42 66.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 43.9 m -76.32 -33.43 59.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.662 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 mt -70.07 -51.65 30.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.752 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -62.62 -26.95 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.666 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -56.9 -39.27 74.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.433 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 71.8 t -83.83 -32.12 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.786 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -60.57 -62.51 1.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.672 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.538 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.5 p80 -58.55 -20.84 49.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.741 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -67.36 -45.35 76.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -90.21 -16.31 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.718 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.8 p -61.67 -28.27 69.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.635 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.59 -120.52 0.1 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 59.0 -121.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.737 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -76.98 45.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.77 -150.14 32.37 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 57.28 47.76 16.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.511 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -73.06 -11.13 60.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -92.59 -55.04 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.689 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -107.27 170.87 7.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.668 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tp -137.83 135.92 36.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.414 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 89.2 p -76.54 156.53 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -79.69 -30.16 40.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.687 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -56.26 -22.99 33.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.537 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -85.01 -35.87 21.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.745 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' B' ' 74' ' ' TYR . 6.8 mt -54.18 -55.92 23.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.526 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -55.33 -25.46 34.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.741 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.27 -54.27 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.72 -25.71 63.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.074 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' B' ' 41' ' ' LEU . 10.6 mt -57.48 -44.06 84.6 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.261 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -75.14 -46.32 35.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.0 m -64.8 -38.04 89.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.952 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -92.47 -50.35 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.858 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' B' ' 37' ' ' LEU . 1.7 tp -98.86 99.36 10.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.395 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -133.27 55.43 1.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.488 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.31 -36.26 0.2 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.522 ' C ' ' H ' ' B' ' 46' ' ' ASP . 77.2 m-85 -83.44 -43.51 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.682 0.277 . . . . 0.0 110.422 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.675 ' C ' HD12 ' B' ' 45' ' ' LEU . 1.6 pp -59.73 0.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.501 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.653 ' N ' HD12 ' B' ' 45' ' ' LEU . 8.9 t70 -93.76 4.13 54.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.49 65.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -86.47 80.99 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.56 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.12 -40.92 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -83.2 137.09 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.641 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -54.83 6.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -52.58 -44.4 65.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.658 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.79 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.81 -22.38 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.645 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.72 -35.01 65.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.661 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -59.67 -54.03 51.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.825 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.09 -39.23 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.693 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.421 ' C ' ' SD ' ' B' ' 58' ' ' MET . 11.4 tmm? -71.29 -40.3 70.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.656 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -61.52 -38.31 86.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.21 -35.81 28.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' B' ' 65' ' ' GLY . 57.5 mt -63.11 -39.76 95.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -62.46 -40.08 95.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -64.51 -37.99 89.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.624 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -167.84 76.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.623 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -67.7 -32.67 78.7 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -91.46 12.73 19.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.312 . . . . 0.0 110.577 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.7 152.97 41.68 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -97.94 156.55 16.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.778 0.323 . . . . 0.0 110.496 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.14 150.42 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.402 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 78.0 m-20 -96.31 -172.81 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.456 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.413 ' O ' HG22 ' B' ' 75' ' ' VAL . 51.4 t80 -60.08 -56.47 21.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -57.33 -44.72 84.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.345 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.402 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 48.7 mt-10 -67.8 -18.55 64.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.355 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.414 ' CD1' HD21 ' B' ' 33' ' ' LEU . 5.2 t80 -87.1 -64.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.556 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.492 HG23 ' N ' ' B' ' 76' ' ' VAL . 28.6 m -44.04 -43.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.014 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.511 HG13 ' N ' ' B' ' 77' ' ' LEU . 8.7 p -58.51 -41.83 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.823 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.511 ' N ' HG13 ' B' ' 76' ' ' VAL . 16.6 mt -62.71 -47.84 81.83 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.578 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.445 ' O ' ' OG1' ' B' ' 82' ' ' THR . 52.9 t -52.33 -27.63 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.385 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.59 -19.41 31.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.786 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.7 -64.56 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.197 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.567 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -64.42 -19.86 65.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.165 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 96.5 m -68.56 -53.78 20.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.746 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.21 -24.42 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.691 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.58 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' B' ' 86' ' ' ASN . 2.7 m -94.33 -26.34 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.914 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' B' ' 85' ' ' CYS . 4.0 t-20 -36.46 -55.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.686 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 39.73 44.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.521 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -76.24 -61.3 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.623 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.67 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -70.73 155.1 41.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.59 -24.82 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.687 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.9 tp -71.61 -32.05 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.39 -46.67 87.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.672 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.0 t -81.78 -20.99 38.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.599 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.99 -47.64 74.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.673 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.2 mmm -71.84 -29.73 64.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.683 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 75.5 mm-40 -65.22 -22.25 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.626 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 14' ' ' VAL . 23.0 m -78.09 -45.74 22.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.06 -39.52 86.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.795 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.647 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.59 -37.25 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.327 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 23.5 m-20 -64.06 -60.84 2.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 10' ' ' THR . 28.1 m -54.63 -30.37 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.752 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -61.66 -44.77 96.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -73.35 -31.31 63.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.57 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.43 -29.82 68.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.5 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -94.16 -56.04 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 10.6 t -61.51 -28.48 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.509 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.95 -19.09 0.49 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' SER . 20.8 ptmt -67.01 -167.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -65.86 -172.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.529 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.87 -159.07 51.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 27' ' ' LYS . 58.5 m-20 -69.06 104.04 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.329 . . . . 0.0 110.594 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' O ' ' OG ' ' A' ' 19' ' ' SER . 30.2 mtmm -71.83 -29.2 64.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -71.73 -32.98 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.752 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 40.1 mmtm -115.06 143.01 45.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.699 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.6 tp -98.31 140.02 33.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.39 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.6 p -79.37 165.85 22.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -89.2 -17.56 28.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.651 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -63.09 -59.63 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.53 ' NE2' ' OE1' ' A' ' 35' ' ' GLU . 23.4 mm100 -64.19 -31.83 73.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' HA ' HD21 ' A' ' 36' ' ' LEU . 44.6 tp -48.71 -45.12 38.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -70.01 -25.4 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.53 ' OE1' ' NE2' ' A' ' 32' ' ' GLN . 83.2 tt0 -80.79 -57.35 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.453 HD21 ' HA ' ' A' ' 33' ' ' LEU . 3.1 pp -62.16 -31.17 71.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.074 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.62 -48.75 66.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.0 mm100 -73.34 -50.34 22.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.872 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.7 m -55.88 -41.42 74.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.696 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -79.0 -10.5 59.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.673 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 mt -129.19 -82.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.661 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' GLN . 25.8 t 56.84 49.49 14.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.98 -47.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -58.74 -26.37 63.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.724 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.596 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -78.84 -12.35 60.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.652 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 58.1 t0 -87.57 7.45 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.693 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.0 63.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.482 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -94.93 112.81 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.686 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -93.95 -65.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 79.2 m-20 -61.11 154.79 22.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.503 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.36 -58.01 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.453 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 15.1 p-10 -50.54 -47.68 57.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.632 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.72 89.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 50' ' ' ASP . 75.1 t -66.73 -28.03 41.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -83.04 -20.12 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.326 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -57.29 -54.03 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.586 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 58' ' ' MET . 13.4 p -62.84 -38.94 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.574 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.465 ' N ' HG13 ' A' ' 57' ' ' VAL . 31.1 tpp -63.93 -34.77 78.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -58.61 -43.04 89.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.87 -40.25 75.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.39 -42.83 87.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.34 -33.15 72.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -48.53 -33.83 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.423 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 1.7 p30 -161.68 -62.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.649 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.423 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . 85.17 11.78 75.13 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.44 18.28 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.26 -160.9 34.78 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -135.69 159.22 42.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.349 . . . . 0.0 110.453 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.08 147.47 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.499 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -89.69 -157.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.561 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -87.32 -56.13 3.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.698 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.431 ' O ' HG23 ' A' ' 76' ' ' VAL . 33.4 mt-30 -58.11 -44.27 87.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.75 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.571 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 40.5 mp0 -71.07 -27.26 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.318 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -68.55 -56.96 6.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.387 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.5 m -51.91 -31.02 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.584 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.49 ' CG2' ' CG2' ' B' ' 76' ' ' VAL . 47.6 t -64.18 -43.09 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.404 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.2 mt -65.72 -40.41 92.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.408 ' O ' HD21 ' A' ' 81' ' ' LEU . 71.0 t -63.26 -29.06 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.683 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.0 -19.4 30.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.773 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.7 -64.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.593 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -60.54 -19.76 58.21 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.911 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.5 m -73.2 -50.52 22.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.685 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.17 -38.65 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.24 -38.13 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.618 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 m -91.9 -33.4 14.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.553 ' ND2' ' CD1' ' A' ' 88' ' ' PHE . 13.9 t-20 -44.74 140.43 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.486 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -150.27 50.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.625 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.553 ' CD1' ' ND2' ' A' ' 86' ' ' ASN . 9.2 m-85 -72.87 -39.36 66.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.593 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.771 -179.77 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.8 m -70.79 155.21 41.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.772 0.32 . . . . 0.0 110.572 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.65 -24.82 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 45.8 tp -71.62 -32.05 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.73 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.38 -46.6 87.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.747 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -81.78 -20.92 38.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.666 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.65 74.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.666 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.2 mmm -71.81 -29.85 64.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.623 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 75.4 mm-40 -65.24 -22.12 66.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.517 ' O ' HG22 ' B' ' 14' ' ' VAL . 23.0 m -78.2 -45.73 22.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.7 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.9 mt -67.04 -39.57 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.748 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.647 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.3 OUTLIER -68.58 -37.31 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.356 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 23.4 m-20 -63.9 -60.81 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.517 HG22 ' O ' ' B' ' 10' ' ' THR . 28.2 m -54.74 -30.3 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -61.65 -44.78 96.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.546 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -73.31 -31.32 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.588 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.41 -29.8 68.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.536 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -94.18 -56.14 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 10.5 t -61.44 -28.46 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.556 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.99 -19.1 0.5 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' B' ' 19' ' ' SER . 20.8 ptmt -66.9 -167.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 0.0 110.602 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -65.83 -172.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.507 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.82 -159.08 51.16 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 27' ' ' LYS . 58.6 m-20 -69.14 104.18 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.53 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.475 ' O ' ' OG ' ' B' ' 19' ' ' SER . 30.3 mtmm -71.88 -29.26 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -71.68 -33.07 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' B' ' 24' ' ' ASP . 40.2 mmtm -115.06 143.08 45.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.733 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.4 tp -98.26 139.97 33.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.486 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.3 p -79.38 165.8 22.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -89.09 -17.63 28.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.684 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -63.08 -59.66 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -64.19 -31.85 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.529 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.449 ' HA ' HD21 ' B' ' 36' ' ' LEU . 44.6 tp -48.61 -45.27 37.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.597 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -69.84 -25.51 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.81 -57.3 3.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.047 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' B' ' 33' ' ' LEU . 3.0 pp -62.15 -31.16 71.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.088 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.74 -48.64 66.57 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.436 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' B' ' 42' ' ' SER . 4.9 mm100 -73.25 -50.45 22.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.846 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.1 m -55.92 -41.28 74.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.71 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -79.16 -10.45 59.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.3 mt -129.26 -82.84 0.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.485 ' N ' ' O ' ' B' ' 38' ' ' GLN . 25.9 t 56.92 49.44 14.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.591 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.95 -47.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -58.71 -26.45 63.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.717 0.294 . . . . 0.0 110.649 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.596 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -78.81 -12.31 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.617 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 58.1 t0 -87.58 7.39 29.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.692 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.99 63.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -94.97 112.76 24.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.707 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -93.85 -65.06 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.526 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 79.2 m-20 -61.11 154.85 21.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.541 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.39 -58.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.343 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 15.3 p-10 -50.56 -47.69 57.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.694 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.87 89.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' B' ' 50' ' ' ASP . 76.2 t -66.7 -27.99 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -82.91 -20.21 35.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -57.32 -53.97 52.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.539 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.459 HG13 ' N ' ' B' ' 58' ' ' MET . 13.4 p -62.89 -38.89 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.594 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.459 ' N ' HG13 ' B' ' 57' ' ' VAL . 30.9 tpp -63.85 -34.87 78.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -58.63 -43.0 89.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.88 -40.13 75.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.598 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.46 -42.87 86.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -69.3 -33.12 72.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.584 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -48.69 -33.76 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.572 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.417 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 1.7 p30 -161.6 -62.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.65 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.417 ' H ' ' CG ' ' B' ' 64' ' ' ASN . . . 85.16 11.74 75.28 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.34 18.2 1.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.528 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.25 -160.78 34.61 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -135.76 159.19 42.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.799 0.333 . . . . 0.0 110.389 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -137.14 147.39 26.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.504 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -89.64 -157.83 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.66 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -87.23 -56.24 3.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.695 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.433 ' O ' HG23 ' B' ' 76' ' ' VAL . 33.5 mt-30 -58.04 -44.3 87.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.573 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 40.5 mp0 -70.96 -27.2 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.472 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -68.64 -56.96 6.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.326 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.5 m -51.94 -31.0 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.49 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 47.7 t -64.11 -43.14 97.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.63 -40.4 92.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.544 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.414 ' O ' HD21 ' B' ' 81' ' ' LEU . 69.6 t -63.31 -29.23 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.74 -19.49 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.799 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.86 -64.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.339 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.602 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -60.54 -19.9 58.68 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.889 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -73.15 -50.58 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.695 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.09 -38.65 82.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.74 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.18 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.3 m -91.93 -33.5 14.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.556 ' ND2' ' CD1' ' B' ' 88' ' ' PHE . 13.8 t-20 -44.66 140.37 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.525 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -150.21 50.69 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.593 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.556 ' CD1' ' ND2' ' B' ' 86' ' ' ASN . 9.3 m-85 -72.9 -39.21 66.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.682 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.756 -179.853 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 m -92.42 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.467 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 52.6 mp0 -62.55 -23.52 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.554 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.7 tt -74.06 -43.36 58.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.33 -53.72 55.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.7 t -63.73 -21.79 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.682 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -52.59 -46.92 67.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.557 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.7 mmm -70.37 -30.9 67.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.503 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 73.9 mm-40 -67.88 -21.6 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.663 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.6 m -80.56 -33.47 36.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.709 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 14' ' ' VAL . 11.4 mt -72.61 -45.32 59.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.787 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 tt -66.41 -22.58 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 93.3 m-20 -61.8 -40.85 96.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 11' ' ' LEU . 19.3 m -83.26 -24.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.8 -62.86 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.669 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 3.5 p80 -59.8 -33.63 71.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.641 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.669 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -59.57 -44.43 93.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.694 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -80.14 -35.08 37.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.716 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 p -65.69 -26.28 67.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.54 -24.74 48.05 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 22' ' ' GLU . 14.1 ptpt -139.14 173.12 11.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 110.601 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 21' ' ' LYS . 92.0 mt-10 57.54 120.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.54 -144.08 36.54 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 63.5 t0 -67.86 138.3 55.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 16.5 pttp -84.02 36.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -149.27 -44.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -126.45 153.54 44.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.54 151.39 21.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.466 ' HA ' ' H ' ' A' ' 68' ' ' GLU . 59.6 p -86.9 158.8 19.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.645 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.36 -33.53 74.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -57.92 -56.23 24.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.49 ' NE2' ' OE1' ' A' ' 35' ' ' GLU . 24.8 mm100 -57.89 -27.6 63.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.681 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.679 ' O ' HD23 ' A' ' 33' ' ' LEU . 1.2 tt -53.07 -36.56 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.521 ' NZ ' HD12 ' A' ' 61' ' ' LEU . 22.2 mtpp -76.86 -25.28 52.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.49 ' OE1' ' NE2' ' A' ' 32' ' ' GLN . 50.6 tt0 -76.68 -47.04 23.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.33 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 33' ' ' LEU . 3.2 pp -72.35 -28.32 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.316 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 37' ' ' LEU . 9.2 mt -51.99 -62.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.43 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.22 -44.78 90.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -56.74 -45.7 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.835 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -71.7 -47.13 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.749 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.4 mp -82.22 -105.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.753 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 2.4 p 80.49 36.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.58 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.89 -56.21 0.03 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.585 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 59.5 m-85 -57.12 -48.53 78.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 110.551 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.15 -21.38 65.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.629 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.52 2.79 46.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.23 29.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.88 140.05 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -89.76 -72.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -80.43 131.71 35.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.75 -42.93 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.432 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.565 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 34.3 p-10 -53.35 -38.18 63.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.688 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.565 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.62 -44.05 91.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.88 -27.16 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -83.0 -20.14 35.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.438 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -58.46 -59.26 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.451 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.92 -34.75 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.558 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.0 ttt -56.19 -37.91 70.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -62.01 -38.27 88.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.04 -41.79 75.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.634 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.521 HD12 ' NZ ' ' A' ' 34' ' ' LYS . 73.2 mt -69.27 -34.08 74.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.625 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.12 -44.6 94.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.571 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -75.34 -45.05 41.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -96.03 34.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.683 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.04 43.56 2.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -87.45 -81.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 110.669 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 168.72 174.45 37.38 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' A' ' 67' ' ' GLY . 98.6 mt-10 56.13 119.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 0.0 110.573 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.0 145.56 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.651 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 42.0 t0 -87.6 150.26 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.438 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.46 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 71.1 t80 -50.73 -44.57 58.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.22 -50.59 72.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.662 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -64.23 -18.48 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.415 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -83.77 -63.79 1.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.623 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.531 HG23 ' N ' ' A' ' 76' ' ' VAL . 35.9 m -49.83 -45.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.942 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.531 ' N ' HG23 ' A' ' 75' ' ' VAL . 6.0 p -59.26 -39.54 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.729 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.444 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.8 tp -65.08 -35.54 81.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.45 ' O ' ' OG1' ' A' ' 82' ' ' THR . 92.4 t -64.31 -27.39 42.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.511 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -86.0 -19.59 30.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.21 -64.96 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.166 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.15 -19.81 64.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.827 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.533 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 45.7 m -69.97 -40.16 75.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.595 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 79' ' ' ALA . 75.1 t -65.78 -37.73 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.645 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.31 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.585 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 27.2 p -98.48 -14.68 19.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -51.09 135.3 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.543 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -142.56 35.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.552 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 43.5 m-85 -79.85 -6.81 58.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.421 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 74.3 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m -92.34 162.77 14.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.486 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 52.6 mp0 -62.6 -23.47 67.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.668 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.7 tt -74.1 -43.32 58.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.423 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.29 -53.75 54.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.707 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 14.7 t -63.66 -21.89 66.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.663 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -52.59 -46.97 67.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -70.28 -30.94 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.469 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 74.0 mm-40 -67.89 -21.56 65.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.666 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.7 m -80.65 -33.4 35.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.482 ' O ' HG22 ' B' ' 14' ' ' VAL . 11.4 mt -72.65 -45.39 59.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.749 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 tt -66.4 -22.5 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.689 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 93.5 m-20 -61.87 -40.79 96.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.482 HG22 ' O ' ' B' ' 11' ' ' LEU . 19.3 m -83.13 -24.26 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.873 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -69.76 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.725 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.673 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 3.5 p80 -59.84 -33.64 72.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.673 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.52 -44.49 93.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -80.17 -35.05 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.0 p -65.67 -26.28 67.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.606 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.64 -24.71 48.71 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 22' ' ' GLU . 14.2 ptpt -139.1 173.08 11.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.637 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' B' ' 21' ' ' LYS . 91.8 mt-10 57.57 120.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.48 -144.03 36.55 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 63.5 t0 -67.85 138.43 56.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.555 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.418 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 16.5 pttp -84.14 36.08 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.514 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -149.19 -44.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.637 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -126.38 153.59 44.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.51 151.48 21.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.463 ' HA ' ' H ' ' B' ' 68' ' ' GLU . 59.5 p -87.0 158.74 19.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.33 -33.52 74.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.773 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -57.9 -56.15 25.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.494 ' NE2' ' OE1' ' B' ' 35' ' ' GLU . 24.8 mm100 -58.05 -27.48 63.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.56 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.669 ' O ' HD23 ' B' ' 33' ' ' LEU . 1.2 tt -53.12 -36.66 61.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.519 ' NZ ' HD12 ' B' ' 61' ' ' LEU . 22.2 mtpp -76.79 -25.3 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.494 ' OE1' ' NE2' ' B' ' 32' ' ' GLN . 50.6 tt0 -76.65 -47.01 23.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.371 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.457 HD21 ' HA ' ' B' ' 33' ' ' LEU . 3.2 pp -72.48 -28.12 62.71 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.305 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' B' ' 37' ' ' LEU . 9.1 mt -52.16 -62.01 1.9 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.363 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.29 -44.7 90.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -56.71 -45.82 81.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -71.63 -47.08 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.52 HD12 ' N ' ' B' ' 41' ' ' LEU . 7.3 mp -82.21 -105.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.72 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 2.4 p 80.44 36.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.01 -56.21 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.568 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 59.4 m-85 -56.95 -48.66 77.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.516 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.18 -21.33 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.665 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.48 2.75 46.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.561 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.2 29.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.9 140.04 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.635 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -89.71 -72.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -80.43 131.8 35.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.78 -42.99 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.409 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 34.6 p-10 -53.31 -38.18 62.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.692 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.572 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -64.6 -44.07 91.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.85 -27.25 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.519 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -82.83 -20.28 35.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -58.45 -59.23 5.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.383 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 8.6 p -61.91 -34.71 64.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.0 ttt -56.17 -37.91 70.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -62.06 -38.28 88.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.623 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.04 -41.71 75.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.627 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.519 HD12 ' NZ ' ' B' ' 34' ' ' LYS . 73.6 mt -69.3 -34.16 74.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.65 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -59.98 -44.59 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.39 -44.95 42.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.626 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -96.07 34.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.658 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.02 43.58 2.48 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -87.55 -81.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 168.72 174.44 37.38 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' B' ' 67' ' ' GLY . 98.6 mt-10 56.13 119.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.792 0.329 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.96 145.57 35.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 42.1 t0 -87.61 150.28 23.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.454 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 70.8 t80 -50.67 -44.67 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.653 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -61.13 -50.6 72.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.71 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -64.23 -18.56 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.406 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -83.69 -63.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.604 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.531 HG23 ' N ' ' B' ' 76' ' ' VAL . 35.9 m -49.71 -45.73 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.933 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.531 ' N ' HG23 ' B' ' 75' ' ' VAL . 6.0 p -59.24 -39.66 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.593 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.459 ' N ' HG13 ' B' ' 76' ' ' VAL . 3.8 tp -65.02 -35.56 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.702 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.443 ' O ' ' OG1' ' B' ' 82' ' ' THR . 93.1 t -64.29 -27.44 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.517 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.412 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.86 -19.59 30.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.33 -64.76 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.214 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.604 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.17 -19.96 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.838 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.527 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 46.5 m -69.93 -40.16 75.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.621 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 79' ' ' ALA . 76.7 t -65.66 -37.8 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.706 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.34 -30.34 69.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.568 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 27.1 p -98.46 -14.68 19.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -51.06 135.35 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.542 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -142.61 35.61 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.548 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 43.5 m-85 -79.95 -6.71 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.423 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 74.8 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -141.92 163.85 31.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.462 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.38 -29.57 70.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.702 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' B' ' 40' ' ' GLU . 42.9 tp -70.35 -32.05 69.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.588 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.36 -48.35 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.759 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -77.53 -21.43 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.506 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.78 -43.31 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.5 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.8 mmm -73.22 -32.3 64.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.429 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -65.42 -23.61 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.3 m -75.02 -40.8 60.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.656 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.87 -46.59 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.99 -42.42 94.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.282 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.452 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 55.2 t30 -57.69 -45.86 85.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.646 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -72.0 -35.87 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -51.16 -53.17 37.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.611 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.4 p80 -73.84 -22.18 59.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.707 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.478 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -62.85 -33.21 74.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.762 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -88.96 -35.96 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.33 -36.04 79.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.667 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.16 76.96 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -68.73 -109.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.668 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -90.79 167.26 12.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . 87.98 -155.29 26.36 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 23' ' ' GLY . 14.3 m-20 -58.34 -130.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.49 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -145.11 -40.7 0.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.474 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -114.65 -6.91 12.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.32 154.87 37.05 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tp -121.63 142.72 49.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.498 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -98.37 167.93 10.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.755 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.12 -34.83 71.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.41 -30.55 62.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.71 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -78.67 -34.91 45.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -54.19 -53.91 47.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.46 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -53.95 -25.62 21.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.17 -57.65 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.309 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.65 -32.93 74.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.172 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 37' ' ' LEU . 17.3 mt -50.67 -48.35 58.45 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.534 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.468 ' O ' ' OG ' ' A' ' 42' ' ' SER . 75.8 mt-30 -72.36 -52.84 14.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -56.47 -34.46 66.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.832 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.415 ' HB3' HD23 ' B' ' 4' ' ' LEU . 76.6 mm-40 -82.4 -44.5 16.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.884 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -89.74 -85.48 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 3.5 m 56.82 33.52 23.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.329 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.2 -50.65 0.05 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -64.27 -48.88 74.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.561 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.39 -14.25 61.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 42' ' ' SER . 7.3 m-20 -85.21 1.05 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.85 37.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -74.66 131.04 40.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -93.75 -44.33 8.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -77.04 131.9 38.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 52' ' ' ASP . 7.1 p -101.19 -40.22 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.682 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' N ' HG13 ' A' ' 51' ' ' VAL . 4.0 p30 -65.15 -43.78 90.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.84 98.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.631 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.81 -29.58 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -75.95 -41.43 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -59.61 -54.85 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.592 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 58' ' ' MET . 9.5 p -57.4 -39.78 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.693 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.457 ' N ' HG13 ' A' ' 57' ' ' VAL . 16.1 tpp -73.4 -35.9 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.542 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -63.92 -37.48 87.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -53.86 -36.66 62.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.657 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' GLY . 12.3 mt -73.75 -39.29 64.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.564 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -67.04 -41.35 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.27 -36.57 84.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' ASP . 25.4 m-20 -90.75 -69.54 0.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.56 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 40.78 25.09 0.1 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ASN . 64.1 m-20 -157.15 89.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.51 153.99 6.02 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 68' ' ' GLU . 43.9 mp0 -86.98 -175.79 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.49 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.62 150.76 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.453 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.4 t70 -100.0 178.46 4.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.539 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.453 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 67.1 t80 -55.24 -55.06 35.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -58.68 -45.43 89.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.639 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.544 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 17.9 mp0 -70.39 -18.61 63.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.019 0.438 . . . . 0.0 110.413 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.69 -60.99 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.6 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.58 HG23 ' N ' ' A' ' 76' ' ' VAL . 35.6 m -47.81 -47.44 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.963 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.58 ' N ' HG23 ' A' ' 75' ' ' VAL . 11.4 p -54.76 -45.35 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.896 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.565 ' N ' HG13 ' A' ' 76' ' ' VAL . 71.3 mt -59.2 -37.92 78.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.737 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.4 t -67.09 -29.1 45.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.76 -19.48 30.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.42 -64.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.176 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -64.02 -19.81 65.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.949 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.8 m -68.55 -50.62 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.653 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.46 -28.68 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.684 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.84 90.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.78 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.8 t -96.69 -36.66 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.795 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -42.32 -54.07 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.687 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 43.73 57.23 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.537 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -66.51 -75.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.712 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 85.9 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.68 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -141.99 163.8 31.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.482 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.48 -29.43 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.689 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 40' ' ' GLU . 42.7 tp -70.33 -32.08 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.581 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.38 -48.35 70.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.756 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -77.46 -21.48 52.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.626 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.35 62.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.505 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 50.7 mmm -73.2 -32.32 64.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -65.42 -23.61 66.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 24.2 m -75.02 -40.81 60.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.669 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -70.98 -46.48 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.651 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.633 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -61.92 -42.47 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.46 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 55.3 t30 -57.65 -45.87 84.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.677 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 69.8 t -72.0 -35.85 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.708 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -51.19 -53.05 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.7 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.535 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.3 p80 -73.98 -22.05 59.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.703 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.48 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -62.83 -33.28 74.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -89.01 -35.96 16.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.639 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.31 -36.05 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.11 -30.17 77.0 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -68.63 -109.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.621 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -90.82 167.25 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.582 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . 88.03 -155.29 26.3 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' B' ' 23' ' ' GLY . 14.3 m-20 -58.38 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.473 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -145.11 -40.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -114.55 -6.94 12.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.497 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.36 154.78 37.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 tp -121.59 142.72 49.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -98.3 167.92 10.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.792 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.13 -34.88 71.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.34 -30.59 62.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -78.68 -34.91 45.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.817 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -54.17 -53.85 47.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.545 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -54.05 -25.53 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.23 -57.54 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.321 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.84 -32.82 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.166 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -50.64 -48.35 58.17 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.597 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.47 ' O ' ' OG ' ' B' ' 42' ' ' SER . 75.8 mt-30 -72.3 -52.94 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.4 m -56.45 -34.49 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.868 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.425 ' HB3' HD23 ' A' ' 4' ' ' LEU . 76.7 mm-40 -82.41 -44.45 16.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.847 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -89.73 -85.39 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.914 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 3.5 m 56.74 33.61 23.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.332 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.29 -50.63 0.05 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -64.34 -48.9 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.482 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.35 -14.32 61.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' B' ' 42' ' ' SER . 7.3 m-20 -85.17 1.05 49.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.538 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.83 37.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.5 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -74.71 130.95 40.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -93.7 -44.29 8.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -77.03 131.88 38.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.461 HG13 ' N ' ' B' ' 52' ' ' ASP . 7.1 p -101.32 -40.07 7.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.461 ' N ' HG13 ' B' ' 51' ' ' VAL . 4.0 p30 -65.25 -43.71 90.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.634 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.63 98.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.664 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.9 t -68.04 -29.48 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.612 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -75.96 -41.46 51.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -59.57 -54.82 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.584 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.452 HG13 ' N ' ' B' ' 58' ' ' MET . 9.5 p -57.42 -39.69 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.779 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.452 ' N ' HG13 ' B' ' 57' ' ' VAL . 16.0 tpp -73.43 -35.92 65.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.541 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -63.96 -37.45 87.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.595 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -53.93 -36.53 62.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 65' ' ' GLY . 12.3 mt -73.85 -39.3 64.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -66.95 -41.36 87.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.39 -36.39 83.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' B' ' 66' ' ' ASP . 25.2 m-20 -90.82 -69.47 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . 40.67 25.17 0.09 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' B' ' 64' ' ' ASN . 64.3 m-20 -157.16 89.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.57 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.38 154.01 6.02 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' B' ' 68' ' ' GLU . 43.9 mp0 -86.95 -175.77 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.467 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.7 150.69 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.3 t70 -99.91 178.51 4.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.445 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 66.8 t80 -55.28 -55.09 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -58.74 -45.31 89.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.733 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 17.8 mp0 -70.44 -18.69 63.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.957 0.408 . . . . 0.0 110.359 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.65 -61.01 1.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.575 HG23 ' N ' ' B' ' 76' ' ' VAL . 35.6 m -47.76 -47.54 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.861 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.58 HG13 ' N ' ' B' ' 77' ' ' LEU . 11.4 p -54.69 -45.34 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.932 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.58 ' N ' HG13 ' B' ' 76' ' ' VAL . 71.0 mt -59.24 -37.88 78.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.746 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 72.5 t -67.16 -29.1 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.628 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.67 -19.53 30.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.55 -64.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.124 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.58 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -64.02 -20.01 65.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.958 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.6 m -68.34 -50.74 51.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.675 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 76.7 t -59.42 -28.71 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.722 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.87 90.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.8 t -96.73 -36.58 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -42.43 -53.92 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.666 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 43.61 57.26 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -66.45 -76.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.66 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 85.7 t80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.588 -179.873 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.736 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -82.75 152.73 25.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.742 0.306 . . . . 0.0 110.585 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.549 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 55.2 mp0 -57.96 -23.14 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.464 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.0 tt -76.74 -42.81 39.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.96 -51.91 67.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -65.69 -22.22 66.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.594 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -53.22 -46.46 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.367 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.5 mmm -69.9 -30.27 67.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.324 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -68.86 -26.54 65.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -78.31 -34.21 48.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.85 -49.46 58.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.16 -22.61 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.577 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -55.74 -40.86 73.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.447 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 84.1 t -84.05 -32.71 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.699 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -57.26 -58.84 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.725 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.534 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.7 p80 -62.41 -21.24 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -67.99 -49.05 63.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.666 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -77.4 -49.39 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.0 p -58.57 -27.85 65.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.503 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.93 -11.75 82.19 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -97.56 -51.35 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.624 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -139.4 154.27 47.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.514 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.39 -175.86 54.54 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' O ' ' A' ' 27' ' ' LYS . 94.0 m-20 -67.89 138.45 56.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 110.485 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -64.57 -44.43 90.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.35 -55.18 11.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' A' ' 24' ' ' ASP . 20.6 mmtm -104.7 146.15 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.563 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 tp -101.56 131.23 47.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.446 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -66.67 139.15 57.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.644 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HZ3' ' HB3' ' A' ' 30' ' ' LYS . 10.1 mtpm? -62.27 -23.51 66.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.464 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -56.38 -37.53 70.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.527 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -71.05 -36.65 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -49.8 -21.32 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.518 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -68.35 -63.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.4 -42.84 61.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.791 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 tp -44.3 -54.04 6.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.413 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -43.77 -65.66 0.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.765 -179.455 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.449 ' O ' ' OG ' ' A' ' 42' ' ' SER . 83.9 mt-30 -65.05 -50.82 64.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.93 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.9 m -44.72 -46.59 10.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -91.43 -50.54 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.219 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.4 mp -103.93 99.87 9.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -120.49 40.76 3.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.867 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.71 -48.08 0.06 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -57.81 -21.68 43.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.638 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -96.9 3.88 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.61 ' N ' HD12 ' A' ' 45' ' ' LEU . 57.1 t0 -103.7 4.65 35.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -151.83 33.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.599 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.632 ' CD ' ' H ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -43.04 94.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' ALA . 21.1 tptp -60.0 -41.24 91.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.469 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -98.52 -141.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.599 HG13 ' N ' ' A' ' 52' ' ' ASP . 10.8 p -168.83 -46.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.599 ' N ' HG13 ' A' ' 51' ' ' VAL . 85.9 m-20 -65.86 -37.79 87.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.614 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -33.53 67.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 57' ' ' VAL . 71.6 t -69.12 -42.02 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.569 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -71.61 -20.15 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.373 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -57.35 -57.84 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.685 HG23 HD12 ' A' ' 77' ' ' LEU . 2.4 p -55.42 -34.02 33.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttm -65.51 -35.43 80.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.629 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.25 -38.54 91.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.629 ' OE2' HD11 ' A' ' 77' ' ' LEU . 43.5 mt-10 -50.72 -41.63 56.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.604 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.607 ' N ' HD12 ' A' ' 61' ' ' LEU . 8.8 mp -65.41 -38.66 90.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -70.24 -31.43 68.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -59.96 -24.95 64.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.578 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -142.93 -72.54 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.06 0.41 69.96 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -151.39 72.23 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 0.0 110.526 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.34 -155.94 7.55 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.11 171.34 14.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.11 -162.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.475 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.423 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 32.0 t0 -144.44 175.89 9.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -58.03 -34.97 70.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.71 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 76' ' ' VAL . 29.5 mt-30 -73.14 -39.05 66.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.423 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 14.1 mp0 -78.49 -27.81 46.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.543 ' O ' HG23 ' A' ' 78' ' ' VAL . 3.4 t80 -66.86 -40.18 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.333 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 72' ' ' GLN . 30.1 m -71.67 -29.04 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.0 t -63.37 -53.56 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.685 HD12 HG23 ' A' ' 57' ' ' VAL . 4.3 mm? -60.85 -33.45 73.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 74' ' ' TYR . 73.9 t -68.41 -38.58 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -78.24 -19.86 52.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.712 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.39 -54.21 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.71 -25.13 68.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -75.39 -49.73 18.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.8 t -60.97 -36.9 75.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.604 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.33 -35.23 62.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.687 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.0 -46.76 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.665 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -55.44 140.5 39.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.632 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -144.67 36.63 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.53 -48.97 79.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -82.76 152.7 25.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.557 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 55.5 mp0 -58.01 -23.08 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.497 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.654 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.0 tt -76.75 -42.88 39.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.91 -51.92 67.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -65.77 -22.18 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.534 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -53.28 -46.3 69.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.431 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 77.6 mmm -70.06 -30.06 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.38 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -69.01 -26.48 65.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.687 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -78.28 -34.23 49.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.67 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.88 -49.52 57.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.755 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.06 -22.64 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.633 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -55.75 -40.86 73.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.663 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.452 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 83.1 t -84.09 -32.68 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -57.32 -58.87 6.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.537 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.8 p80 -62.49 -21.06 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.686 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -67.99 -49.07 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -77.4 -49.43 14.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.681 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.4 p -58.48 -27.81 64.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.02 -11.81 81.98 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -97.53 -51.27 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.712 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -139.37 154.32 47.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.41 -175.85 54.56 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.0 m-20 -67.91 138.51 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.395 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -64.65 -44.43 90.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.794 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.29 -55.23 11.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' B' ' 24' ' ' ASP . 20.5 mmtm -104.66 146.14 29.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.54 131.19 47.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.464 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -66.65 139.07 57.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.671 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.418 ' HB3' ' HZ3' ' B' ' 30' ' ' LYS . 10.1 mtpm? -62.22 -23.48 66.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.439 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -56.35 -37.51 70.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.523 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -71.08 -36.79 72.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.474 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -49.62 -21.4 1.01 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -68.27 -63.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.749 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.45 -42.78 61.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.721 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 tp -44.37 -53.9 6.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' B' ' 41' ' ' LEU . 0.5 OUTLIER -43.89 -65.58 0.49 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.735 -179.485 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.433 ' O ' ' OG ' ' B' ' 42' ' ' SER . 83.9 mt-30 -65.04 -50.86 64.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.962 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 26.7 m -44.69 -46.63 10.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -91.53 -50.48 5.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.122 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' B' ' 37' ' ' LEU . 4.4 mp -103.96 99.91 9.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.842 0.353 . . . . 0.0 110.732 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 0.8 OUTLIER -120.54 40.86 3.4 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 179.83 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.81 -48.07 0.06 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -57.85 -21.69 44.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.624 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.608 HD12 ' N ' ' B' ' 46' ' ' ASP . 0.4 OUTLIER -96.8 3.88 52.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.608 ' N ' HD12 ' B' ' 45' ' ' LEU . 57.2 t0 -103.68 4.57 35.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -151.77 33.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.567 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.627 ' CD ' ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -43.11 94.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.465 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' B' ' 47' ' ' ALA . 21.2 tptp -60.14 -41.1 92.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.489 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -98.52 -141.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.544 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.597 HG13 ' N ' ' B' ' 52' ' ' ASP . 10.7 p -168.83 -46.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.597 ' N ' HG13 ' B' ' 51' ' ' VAL . 85.8 m-20 -65.71 -37.97 87.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.65 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.07 -33.55 68.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.431 ' O ' HG12 ' B' ' 57' ' ' VAL . 72.4 t -69.11 -41.99 81.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.613 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -71.55 -20.29 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.379 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -57.28 -57.9 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.459 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.68 HG23 HD12 ' B' ' 77' ' ' LEU . 2.4 p -55.53 -33.91 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttm -65.56 -35.37 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.675 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.26 -38.6 91.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.632 ' OE2' HD11 ' B' ' 77' ' ' LEU . 43.5 mt-10 -50.67 -41.68 55.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.582 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.61 HD12 ' N ' ' B' ' 61' ' ' LEU . 8.8 mp -65.33 -38.68 90.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.465 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -70.2 -31.48 68.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.509 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -59.93 -24.99 64.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.472 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -142.94 -72.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.448 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.12 0.34 70.08 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -151.37 72.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.474 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.36 -155.94 7.55 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.1 171.31 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.543 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.07 -162.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.429 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 32.3 t0 -144.46 175.86 9.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.561 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -57.95 -35.02 70.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.753 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.555 ' O ' HG23 ' B' ' 76' ' ' VAL . 29.4 mt-30 -73.08 -39.12 66.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.429 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 14.2 mp0 -78.4 -27.8 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.557 ' O ' HG23 ' B' ' 78' ' ' VAL . 3.4 t80 -66.81 -40.3 88.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.284 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 72' ' ' GLN . 30.4 m -71.57 -29.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.59 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.555 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.9 t -63.3 -53.57 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.474 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.68 HD12 HG23 ' B' ' 57' ' ' VAL . 4.3 mm? -60.83 -33.47 73.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.404 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.557 HG23 ' O ' ' B' ' 74' ' ' TYR . 74.2 t -68.37 -38.6 79.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.601 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.415 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -78.22 -19.81 53.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.52 -54.13 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.707 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.65 -25.15 67.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.526 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -75.41 -49.78 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.6 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 79' ' ' ALA . 55.2 t -60.91 -36.94 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.554 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.37 -35.15 62.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.3 t -97.01 -46.88 6.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.678 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -55.31 140.48 39.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.627 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -144.61 36.57 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.46 -49.01 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.568 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.478 ' O ' HG22 ' A' ' 6' ' ' THR . 60.7 p -72.93 155.53 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.695 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.3 -24.91 68.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.468 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.538 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -79.74 -61.73 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -52.5 -44.15 65.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 2' ' ' SER . 6.3 t -69.24 -20.66 63.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.698 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -56.46 -37.23 70.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.747 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -83.87 -25.4 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.744 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.5 -25.29 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.716 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -78.38 -48.04 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.652 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.36 -46.54 82.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.644 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.622 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -60.01 -45.54 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.343 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.508 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 79.6 m-20 -60.33 -41.24 93.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.777 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.4 t -77.11 -29.59 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.721 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -57.84 -51.72 68.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.521 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.9 p80 -75.53 -19.56 59.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -30.77 68.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.35 -49.3 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.6 p -58.58 -36.8 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -61.56 -21.78 60.78 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 20' ' ' GLY . 44.7 tttt -58.63 -136.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.589 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -105.28 133.6 49.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.09 -118.22 2.1 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -69.89 162.62 27.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.567 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -73.43 -63.6 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.563 ' OH ' ' CE2' ' B' ' 89' ' ' PHE . 3.8 m-85 -126.99 -4.94 6.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.627 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -91.65 168.97 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.652 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -131.4 126.13 34.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.415 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.4 p -60.55 155.72 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.57 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HA ' HD23 ' A' ' 33' ' ' LEU . 35.1 ttpt -83.76 -5.63 59.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -78.64 -34.9 46.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -70.51 -25.37 63.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 30' ' ' LYS . 4.0 mm? -47.38 -21.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -76.03 -64.82 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.769 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 39' ' ' THR . 94.4 mt-10 -69.5 -29.81 67.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.91 -50.56 73.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.415 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 41' ' ' LEU . 93.2 mt -68.79 -46.58 68.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.966 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.72 -36.97 81.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.133 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 86.6 m -72.82 -40.43 65.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.956 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -85.02 -50.59 7.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.7 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.3 mp -99.57 96.61 7.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.831 0.348 . . . . 0.0 110.388 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.8 p -123.38 38.42 4.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.441 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.99 -39.26 0.2 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' A' ' 46' ' ' ASP . 62.4 m-85 -67.72 -51.84 44.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 110.452 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.685 HD12 ' C ' ' A' ' 45' ' ' LEU . 2.0 pp -58.34 -0.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.667 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.665 ' N ' HD12 ' A' ' 45' ' ' LEU . 16.4 t70 -97.89 2.74 49.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.14 37.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.545 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -76.96 131.03 38.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -97.42 -78.8 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -50.9 153.17 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.643 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.2 -46.99 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.437 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -52.37 -48.58 65.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.74 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.0 84.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.618 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' ' 57' ' ' VAL . 75.3 t -64.61 -29.37 47.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.602 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -82.95 -20.28 35.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.428 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -53.87 -47.34 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.5 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 58' ' ' MET . 6.7 p -62.22 -40.23 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.466 ' N ' HG13 ' A' ' 57' ' ' VAL . 64.0 mtt -72.49 -24.54 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.39 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -50.59 -37.02 37.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -62.19 -37.09 83.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.35 -34.74 55.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.42 -41.63 98.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.37 -44.29 79.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -172.15 113.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.26 56.11 3.95 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 50.6 p30 -155.41 143.3 19.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.696 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.34 -148.88 18.79 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.536 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -144.58 173.32 11.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.753 0.311 . . . . 0.0 110.454 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.0 t -134.68 133.08 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.63 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.0 t0 -82.65 159.58 22.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.565 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 85.3 t80 -49.87 -51.47 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -59.16 -41.55 88.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.483 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -71.44 -18.44 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.343 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -83.84 -59.19 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.422 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.509 HG23 ' N ' ' A' ' 76' ' ' VAL . 34.0 m -50.81 -44.19 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.968 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 77' ' ' LEU . 9.6 p -63.3 -42.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.855 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.53 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.6 tp -60.96 -38.84 87.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.516 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.435 ' O ' ' OG1' ' A' ' 82' ' ' THR . 75.6 t -62.12 -23.78 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.545 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.96 -19.43 30.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.744 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -64.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -62.86 -19.93 64.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.928 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.494 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 35.4 m -73.77 -43.4 59.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.496 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 79' ' ' ALA . 76.2 t -66.41 -36.46 77.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -35.94 77.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.73 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.513 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 24.4 p -92.33 -29.6 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.745 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 85' ' ' CYS . 39.1 t30 -35.4 -83.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.597 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.6 m120 59.67 53.2 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.588 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -72.31 -76.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.444 ' CZ ' ' OH ' ' B' ' 26' ' ' TYR . 67.1 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.75 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.48 ' O ' HG22 ' B' ' 6' ' ' THR . 60.6 p -73.05 155.53 39.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.61 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.27 -24.87 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 0.2 OUTLIER -79.65 -61.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.645 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -52.37 -44.26 65.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.48 HG22 ' O ' ' B' ' 2' ' ' SER . 6.3 t -69.17 -20.84 64.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.673 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -56.45 -37.15 69.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.729 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -83.97 -25.35 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.708 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.6 -25.2 67.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.677 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -78.39 -48.09 16.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.674 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.31 -46.52 83.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.738 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.633 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -60.05 -45.53 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.321 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.505 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 79.1 m-20 -60.33 -41.33 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.753 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -76.96 -29.7 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.723 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -57.79 -51.81 68.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.705 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.521 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 4.8 p80 -75.55 -19.5 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.783 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -30.85 68.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.666 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.35 -49.23 5.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.707 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.6 p -58.63 -36.69 74.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.688 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' B' ' 21' ' ' LYS . . . -61.59 -21.89 60.97 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 20' ' ' GLY . 44.3 tttt -58.52 -136.38 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.801 0.334 . . . . 0.0 110.628 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -105.29 133.53 49.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.13 -118.19 2.09 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -69.86 162.62 27.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 110.599 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -73.48 -63.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.712 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.444 ' OH ' ' CZ ' ' A' ' 89' ' ' PHE . 3.7 m-85 -127.01 -4.95 6.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -91.64 168.93 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.569 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -131.41 126.05 34.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.375 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -60.49 155.72 17.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.428 ' HA ' HD23 ' B' ' 33' ' ' LEU . 35.1 ttpt -83.84 -5.46 59.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -78.69 -34.94 45.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.508 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -70.5 -25.43 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.627 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' B' ' 30' ' ' LYS . 4.0 mm? -47.39 -21.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -75.92 -64.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.4 mt-10 -69.54 -29.71 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.98 -50.49 73.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 41' ' ' LEU . 93.6 mt -68.91 -46.51 68.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.71 -37.02 81.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.143 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 86.1 m -72.75 -40.47 66.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.912 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -85.09 -50.37 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.714 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' B' ' 37' ' ' LEU . 5.3 mp -99.63 96.54 7.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.783 0.325 . . . . 0.0 110.343 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 53.9 p -123.43 38.43 4.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.344 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.03 -39.27 0.2 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.528 ' C ' ' H ' ' B' ' 46' ' ' ASP . 62.4 m-85 -67.66 -51.81 45.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.808 0.337 . . . . 0.0 110.482 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.681 ' C ' HD12 ' B' ' 45' ' ' LEU . 2.0 pp -58.5 -0.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.667 ' N ' HD12 ' B' ' 45' ' ' LEU . 16.5 t70 -97.96 2.85 49.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.473 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.2 37.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -76.93 131.08 38.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -97.4 -78.89 0.47 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.637 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -50.93 153.11 1.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.1 -47.1 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.441 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -52.33 -48.6 65.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.778 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.99 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.71 -29.4 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -82.93 -20.27 35.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.384 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -53.85 -47.4 71.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.461 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.47 HG13 ' N ' ' B' ' 58' ' ' MET . 6.9 p -62.21 -40.22 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.47 ' N ' HG13 ' B' ' 57' ' ' VAL . 64.0 mtt -72.42 -24.59 61.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.466 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -50.52 -37.1 37.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.568 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -62.02 -37.12 83.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.508 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 45.6 mt -77.33 -34.77 55.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.49 -41.55 98.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -67.35 -44.25 79.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.647 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -172.21 113.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.2 56.04 3.97 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 50.6 p30 -155.35 143.36 20.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.25 -148.94 18.79 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 0.1 OUTLIER -144.51 173.35 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.745 0.307 . . . . 0.0 110.505 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.1 t -134.76 133.15 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 47.9 t0 -82.67 159.64 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.484 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.536 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 85.7 t80 -49.93 -51.57 40.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.481 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -59.08 -41.61 88.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -71.31 -18.58 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.356 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -83.65 -59.31 2.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.423 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.519 HG23 ' N ' ' B' ' 76' ' ' VAL . 33.9 m -50.75 -44.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.975 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.531 HG13 ' N ' ' B' ' 77' ' ' LEU . 9.5 p -63.42 -42.77 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.793 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.531 ' N ' HG13 ' B' ' 76' ' ' VAL . 3.6 tp -60.9 -38.82 87.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.622 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.413 ' O ' ' OG1' ' B' ' 82' ' ' THR . 75.6 t -62.18 -23.84 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.522 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.81 -19.47 30.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.784 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.05 -64.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.593 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -62.89 -20.04 64.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.883 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.497 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 34.7 m -73.7 -43.39 59.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 79' ' ' ALA . 76.4 t -66.44 -36.4 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.629 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.81 77.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.741 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' B' ' 82' ' ' THR . 24.5 p -92.31 -29.6 16.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.826 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' B' ' 85' ' ' CYS . 39.0 t30 -35.33 -83.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 m120 59.74 53.14 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -72.21 -76.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.563 ' CE2' ' OH ' ' A' ' 26' ' ' TYR . 67.0 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.36 161.23 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.33 -35.07 76.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.9 tp -74.34 -36.07 63.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.99 -44.73 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.67 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 t -78.63 -20.85 49.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.658 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.58 -43.58 68.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.4 mmm -74.28 -31.6 62.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.21 -28.8 70.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.0 m -73.12 -34.36 66.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.645 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.05 -57.33 6.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 12' ' ' ILE . 4.0 tt -57.76 -30.48 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.676 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -56.01 -38.06 69.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.498 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.9 t -81.31 -40.35 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.635 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -59.38 -59.09 6.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.528 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -55.67 -29.75 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.501 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.93 85.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -94.38 -22.94 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.609 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 p -61.82 -29.39 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.664 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.59 -146.96 0.12 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt 57.91 -144.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.476 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -83.89 161.93 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.13 -170.24 41.0 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.48 140.13 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.502 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -85.36 -19.68 31.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.628 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -100.54 -43.28 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.651 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -91.6 160.36 15.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -134.01 142.91 47.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.43 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -65.19 160.94 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.499 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 33.0 ttmt -90.26 -30.02 17.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.635 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -58.07 -42.68 86.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.607 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -60.07 -32.65 71.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 tp -49.58 -52.45 30.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -61.2 -25.55 67.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -83.87 -49.06 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.216 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -73.86 -26.85 60.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.129 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.65 -64.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.372 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 42' ' ' SER . 50.3 mt-30 -64.38 -52.63 57.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.696 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 m -46.23 -49.04 17.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.619 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.19 -37.94 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.568 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.84 -80.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.754 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' GLN . 4.1 m 51.09 42.41 28.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.535 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.05 -45.03 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -60.2 -32.0 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.782 0.325 . . . . 0.0 110.726 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.67 -26.99 50.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.349 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -77.86 1.88 19.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.493 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.66 46.13 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.14 162.69 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -138.07 -77.76 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 54' ' ' VAL . 88.7 m-20 -49.36 135.21 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.644 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -93.96 -52.25 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.483 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 24.7 p-10 -53.47 -54.82 31.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.671 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.12 -42.91 66.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.711 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 50' ' ' ASP . 87.5 t -67.95 -27.26 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -71.58 -34.6 70.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.755 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.73 -61.89 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.457 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -50.15 -38.74 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.643 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.6 mtt -69.94 -37.18 75.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.513 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -58.32 -36.85 74.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' A' ' 64' ' ' ASN . 70.0 mm-40 -55.73 -38.57 69.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.465 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' GLY . 40.1 mt -71.04 -38.06 72.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.355 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.15 -39.4 93.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.67 -37.28 85.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.483 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 6.5 p30 -157.37 72.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.773 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -59.19 -39.03 93.99 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.12 131.64 40.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.71 -175.96 32.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -121.81 158.16 29.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.719 0.295 . . . . 0.0 110.596 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.9 156.07 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.554 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -97.66 -173.63 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.494 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 74' ' ' TYR . 50.9 t80 -52.92 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' VAL . 34.1 mt-30 -38.62 -63.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.756 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -47.68 -24.47 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.397 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.54 ' N ' ' O ' ' A' ' 71' ' ' PHE . 2.5 t80 -99.94 -18.52 17.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -78.16 -36.92 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.581 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.532 HG13 ' N ' ' A' ' 77' ' ' LEU . 10.7 p -81.54 -42.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.532 ' N ' HG13 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -49.64 -50.2 44.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.524 -179.816 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.11 -27.58 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.92 -19.45 30.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.99 -65.12 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.229 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.8 pt? -61.25 -20.09 62.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.892 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -69.3 -50.16 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.696 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.98 -32.39 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.06 -19.13 60.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.814 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 m -127.55 28.34 5.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.742 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -68.08 -58.76 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.53 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.4 t30 55.42 47.95 20.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -96.39 -77.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.4 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.611 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.51 161.21 23.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.21 -35.12 76.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 50.0 tp -74.36 -36.07 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.0 -44.64 92.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.743 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.3 t -78.67 -20.8 49.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.647 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.58 -43.59 68.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.4 mmm -74.38 -31.53 62.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.504 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.32 -28.75 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.625 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.7 m -73.11 -34.48 66.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 mt -68.03 -57.28 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.658 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 tt -57.79 -30.56 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -55.91 -38.12 69.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.9 t -81.34 -40.19 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.751 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -59.48 -59.0 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -55.66 -29.82 59.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.0 86.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.518 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -94.36 -22.86 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.655 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.4 p -61.84 -29.35 70.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.64 -146.89 0.12 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt 57.88 -144.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.613 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -83.98 161.91 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.24 -170.25 40.81 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.51 140.06 58.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.804 0.335 . . . . 0.0 110.566 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -85.32 -19.72 31.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -100.4 -43.33 6.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.73 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -91.58 160.29 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.702 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -133.92 142.92 47.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.512 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -65.16 161.02 19.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.454 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 33.0 ttmt -90.31 -29.91 17.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -58.18 -42.67 86.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -60.1 -32.59 71.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.506 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 tp -49.62 -52.44 30.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -61.2 -25.55 67.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.436 ' O ' ' OG1' ' B' ' 39' ' ' THR . 79.6 mm-40 -83.83 -49.14 9.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -73.85 -26.75 60.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.119 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.61 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.352 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.482 ' O ' ' OG ' ' B' ' 42' ' ' SER . 50.3 mt-30 -64.36 -52.59 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.74 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 9.4 m -46.2 -49.11 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.14 -37.94 57.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.4 mt -95.9 -80.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.689 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 4.1 m 51.07 42.42 28.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.554 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.13 -44.96 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -60.17 -32.14 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 110.702 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.59 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -77.62 -26.91 50.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.383 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -77.91 1.85 19.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.61 46.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.09 162.64 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -137.96 -77.63 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.645 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.463 ' O ' HG23 ' B' ' 54' ' ' VAL . 88.9 m-20 -49.52 135.35 18.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.606 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -93.94 -52.35 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.467 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 24.8 p-10 -53.4 -54.92 29.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.05 -42.96 66.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.692 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 50' ' ' ASP . 88.7 t -67.97 -27.17 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.598 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -71.51 -34.7 70.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.749 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.67 -61.85 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.51 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -50.25 -38.79 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.603 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 48.5 mtt -69.91 -37.15 75.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -58.29 -36.91 74.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.625 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' B' ' 64' ' ' ASN . 70.1 mm-40 -55.61 -38.63 69.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.508 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' B' ' 65' ' ' GLY . 39.9 mt -71.01 -38.02 72.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.398 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.2 -39.36 93.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.76 -37.16 85.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.681 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.454 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 6.6 p30 -157.37 72.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.727 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -59.25 -38.99 94.02 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.09 131.7 40.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.497 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.6 -176.01 32.52 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -121.85 158.18 29.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.789 0.328 . . . . 0.0 110.502 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.94 156.1 25.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -97.71 -173.64 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.55 ' O ' ' N ' ' B' ' 74' ' ' TYR . 50.6 t80 -52.9 -73.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' B' ' 75' ' ' VAL . 34.0 mt-30 -38.49 -63.08 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -47.78 -24.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.55 ' N ' ' O ' ' B' ' 71' ' ' PHE . 2.5 t80 -99.93 -18.57 17.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -78.13 -37.02 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.481 -179.569 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.544 HG13 ' N ' ' B' ' 77' ' ' LEU . 10.7 p -81.41 -42.83 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.544 ' N ' HG13 ' B' ' 76' ' ' VAL . 0.2 OUTLIER -49.78 -50.07 46.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.552 -179.795 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.15 -27.72 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.68 -19.52 30.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.12 -64.88 0.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.221 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.591 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.8 pt? -61.35 -20.21 62.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.871 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -69.21 -50.13 50.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.705 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.03 -32.44 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.04 -19.08 60.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.803 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 m -127.64 28.4 5.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.745 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -68.02 -58.78 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.605 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.5 t30 55.37 47.93 20.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -96.26 -77.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.701 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.5 t80 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.615 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.7 OUTLIER 84.24 125.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 110.637 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -57.99 -34.96 70.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.65 -35.42 76.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.4 -50.47 73.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.677 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.39 -21.23 39.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.725 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.76 -41.33 43.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.469 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.4 mmm -74.66 -30.58 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.596 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.74 -29.42 70.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.0 m -75.04 -34.66 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.05 -56.05 13.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.721 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 tt -61.55 -23.1 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -56.53 -37.77 70.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.699 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.5 t -85.3 -29.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.66 -61.91 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.734 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.516 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.7 p80 -58.18 -20.56 42.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -70.05 -50.61 39.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.673 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -79.85 -38.11 33.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -57.38 -31.38 65.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.37 35.94 4.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 22' ' ' GLU . 80.0 tttt -146.08 115.56 7.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.624 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 21' ' ' LYS . 97.4 mt-10 46.11 100.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.571 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.6 -142.44 13.74 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.59 -178.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 0.0 110.641 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -106.08 -20.92 13.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.729 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -143.52 12.96 1.74 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.811 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -128.75 132.88 47.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.341 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.587 HD11 ' OE1' ' A' ' 32' ' ' GLN . 35.5 tp -97.18 132.54 42.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.592 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.7 p -74.97 165.68 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.554 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.447 ' HZ1' ' H ' ' A' ' 65' ' ' GLY . 9.8 mtmp? -90.28 -5.59 56.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.638 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -81.18 -23.43 38.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.587 ' OE1' HD11 ' A' ' 28' ' ' LEU . 83.7 mt-30 -82.87 -39.5 21.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 37' ' ' LEU . 6.1 mt -45.74 -21.62 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 32' ' ' GLN . 22.1 mtpp -63.1 -61.06 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.801 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.6 -40.69 17.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.728 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -44.35 -53.93 6.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.336 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 33' ' ' LEU . 5.9 mt -52.54 -65.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 0.0 110.96 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -57.68 -55.5 34.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.011 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.9 m -42.61 -49.68 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -73.77 -46.59 44.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.403 ' CD1' HD11 ' A' ' 81' ' ' LEU . 79.9 mt -78.52 -87.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.627 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.423 ' HA ' HD21 ' A' ' 45' ' ' LEU . 1.4 p 62.83 37.49 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.462 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.72 -46.77 0.03 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -65.84 -39.01 90.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.749 0.309 . . . . 0.0 110.621 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.423 HD21 ' HA ' ' A' ' 42' ' ' SER . 2.9 pp -68.77 -14.1 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.56 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -83.65 7.84 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.73 70.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.635 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -93.82 111.73 23.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.627 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -83.47 -62.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -67.4 179.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.571 HG13 ' N ' ' A' ' 52' ' ' ASP . 7.7 p -139.35 -45.84 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.571 ' N ' HG13 ' A' ' 51' ' ' VAL . 4.0 p30 -61.77 -41.43 97.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.653 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.28 62.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.574 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.74 -29.41 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 55' ' ' ASP . 39.1 t0 -82.87 -20.31 35.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.427 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -54.74 -54.04 47.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.412 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 58' ' ' MET . 9.8 p -58.74 -41.79 83.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.517 ' N ' HG13 ' A' ' 57' ' ' VAL . 63.3 mtt -66.22 -39.37 89.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -59.35 -34.52 72.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -51.34 -40.16 58.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.619 ' N ' HD12 ' A' ' 61' ' ' LEU . 9.6 mp -70.33 -40.15 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.66 -40.41 75.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.597 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.73 -9.85 40.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.46 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -139.04 -91.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' H ' ' HZ1' ' A' ' 30' ' ' LYS . . . 94.35 6.07 61.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -177.09 112.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.614 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.48 -155.48 25.04 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -135.4 165.56 25.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.791 0.329 . . . . 0.0 110.49 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 m -139.33 155.95 26.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -97.17 174.68 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.36 -43.45 96.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' VAL . 33.0 mt-30 -62.0 -34.05 75.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -81.02 -24.61 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.63 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.442 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.5 t80 -73.72 -38.71 64.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.483 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.11 -33.36 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.319 . . . . 0.0 110.806 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.8 t -60.54 -51.55 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.699 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.74 -49.99 75.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.437 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 74' ' ' TYR . 74.9 t -52.37 -35.8 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.662 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -20.45 29.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.731 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.33 -64.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.167 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -64.15 -20.19 65.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.973 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 58.7 m -66.95 -53.74 28.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.31 -38.38 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.61 92.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 81.1 m -94.69 10.97 32.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -89.76 111.13 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -100.26 49.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -67.73 -47.9 68.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.588 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 80.2 t80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 1' ' ' GLY . . . . . 0.538 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 0.7 OUTLIER 84.36 125.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.57 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.11 -34.9 70.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.462 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.71 -35.39 76.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.436 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.42 -50.45 73.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.35 -21.35 39.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.729 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.79 -41.24 44.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.432 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.5 mmm -74.59 -30.73 61.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.581 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.76 -29.4 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.1 m -74.98 -34.79 62.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.03 -56.04 13.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.801 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 tt -61.36 -23.29 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.664 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -56.5 -37.76 70.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.5 t -85.33 -29.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.64 -61.92 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.784 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.524 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 4.8 p80 -58.12 -20.62 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.417 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -69.94 -50.65 39.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.689 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -79.85 -38.12 33.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.747 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -57.39 -31.41 65.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.4 36.06 4.0 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' B' ' 22' ' ' GLU . 80.0 tttt -146.08 115.45 7.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.65 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' B' ' 21' ' ' LYS . 97.4 mt-10 46.13 100.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.628 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.56 -142.49 13.79 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.53 -178.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.629 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -106.12 -20.92 13.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -143.46 12.89 1.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -128.69 132.85 48.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.457 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.599 HD11 ' OE1' ' B' ' 32' ' ' GLN . 35.3 tp -97.14 132.54 42.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 96.3 p -74.98 165.78 24.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.507 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.419 ' HZ1' ' H ' ' B' ' 65' ' ' GLY . 9.8 mtmp? -90.47 -5.54 55.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -81.18 -23.36 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.599 ' OE1' HD11 ' B' ' 28' ' ' LEU . 83.6 mt-30 -82.97 -39.48 21.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.61 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.468 ' O ' HD12 ' B' ' 37' ' ' LEU . 6.1 mt -45.81 -21.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.451 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' B' ' 32' ' ' GLN . 22.1 mtpp -63.27 -60.88 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.69 -40.54 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.753 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -44.44 -53.99 6.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.354 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 33' ' ' LEU . 5.9 mt -52.47 -65.7 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.985 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -57.84 -55.33 36.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.003 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 40.6 m -42.72 -49.56 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -73.8 -46.6 44.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.802 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 79.4 mt -78.53 -87.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.421 ' HA ' HD21 ' B' ' 45' ' ' LEU . 1.4 p 62.68 37.53 12.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.481 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.68 -46.96 0.03 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -65.78 -38.94 90.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.69 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.421 HD21 ' HA ' ' B' ' 42' ' ' SER . 2.9 pp -68.79 -14.09 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -83.71 7.83 16.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.71 70.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -93.78 111.77 23.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -83.57 -62.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -67.44 179.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.529 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.574 HG13 ' N ' ' B' ' 52' ' ' ASP . 7.7 p -139.32 -45.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.615 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.574 ' N ' HG13 ' B' ' 51' ' ' VAL . 4.0 p30 -61.63 -41.48 97.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.635 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.3 -31.21 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.74 -29.38 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 55' ' ' ASP . 39.1 t0 -82.85 -20.38 35.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -54.68 -54.04 46.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.438 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.509 HG13 ' N ' ' B' ' 58' ' ' MET . 9.8 p -58.76 -41.75 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.712 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.509 ' N ' HG13 ' B' ' 57' ' ' VAL . 63.4 mtt -66.34 -39.36 89.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.563 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.29 -34.62 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.481 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -51.33 -40.03 58.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.625 HD12 ' N ' ' B' ' 61' ' ' LEU . 9.6 mp -70.52 -40.02 73.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.634 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.72 -40.45 75.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.508 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.64 -9.97 41.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.486 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -138.9 -91.65 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.419 ' H ' ' HZ1' ' B' ' 30' ' ' LYS . . . 94.33 6.06 61.6 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -176.99 112.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.45 -155.41 24.93 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -135.5 165.56 25.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 110.448 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 m -139.35 155.99 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -97.27 174.57 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.583 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -60.28 -43.47 96.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.685 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.514 ' O ' HG23 ' B' ' 76' ' ' VAL . 33.0 mt-30 -62.01 -34.03 75.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -81.08 -24.59 37.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.594 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.446 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.5 t80 -73.69 -38.81 64.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.436 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -71.02 -33.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.759 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 72' ' ' GLN . 53.7 t -60.52 -51.72 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.649 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.6 -50.01 75.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.474 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 74' ' ' TYR . 74.7 t -52.32 -35.86 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.74 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.79 -20.57 29.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.24 -64.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.587 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -64.37 -20.09 65.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.978 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 58.9 m -66.92 -53.67 29.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.583 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.39 -38.38 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.63 93.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.498 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 80.6 m -94.71 11.03 32.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -89.86 111.05 21.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.66 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -100.2 49.63 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.538 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -67.86 -47.74 68.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' B' ' 89' ' ' PHE . 80.3 t80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 m -75.35 156.76 35.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.511 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -63.12 -26.63 68.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.13 -27.7 55.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.15 -56.11 19.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.732 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 t -78.94 -20.83 48.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.678 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.31 -45.97 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.48 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mmm -72.67 -30.18 64.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.568 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.08 -28.4 69.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.621 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.4 m -73.37 -30.99 63.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.09 -55.27 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.763 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.6 tt -63.01 -25.92 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -55.76 -37.98 69.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.29 -27.52 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.699 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CZ ' ' O ' ' A' ' 70' ' ' ASP . 55.8 t80 -64.96 -62.1 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.725 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.518 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.2 p80 -59.46 -23.69 62.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.453 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -68.08 -38.16 82.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.706 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -89.62 -30.57 18.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.756 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 21' ' ' LYS . 7.8 p -70.17 -20.68 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.22 16.4 4.71 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 19' ' ' SER . 24.5 mtpp -100.28 173.9 6.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.853 0.359 . . . . 0.0 110.569 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.35 146.14 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.678 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.84 -115.22 2.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -72.6 -28.55 62.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 7.7 mtpp 63.63 7.95 3.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.566 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.427 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 82.2 m-85 -154.96 -38.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.582 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -102.04 154.55 18.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.6 tp -104.07 133.38 49.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.46 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 t -61.27 -138.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -140.85 -47.38 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' O ' ' OE1' ' A' ' 35' ' ' GLU . 47.2 mtmt -66.96 -22.73 65.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.507 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -70.43 -27.6 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.794 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.07 -48.24 81.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.768 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -50.7 -25.27 4.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.577 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 10.6 mp0 -83.32 -57.36 3.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.108 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.96 -28.85 68.62 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.903 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mt -54.51 -51.95 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.136 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -72.25 -44.66 62.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.11 -43.99 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -72.7 -39.17 67.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 42' ' ' SER . 89.0 mt -90.57 -101.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.525 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 1.1 t 79.05 41.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.42 -55.91 0.02 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.495 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 56.0 m-85 -62.77 -41.98 99.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.633 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.657 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -67.89 -37.33 81.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.263 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -62.11 -13.68 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.0 65.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.06 134.92 41.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -101.29 -43.64 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.657 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -72.86 149.71 43.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.16 -59.34 3.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.462 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.79 -43.6 63.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.97 86.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.714 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.99 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.647 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.84 -20.3 35.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.395 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -58.7 -47.84 83.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.429 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 57' ' ' VAL . 2.5 p -67.21 -33.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.0 mmm -68.01 -28.98 67.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.55 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -53.7 -35.15 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.611 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 64' ' ' ASN . 86.2 mt-10 -53.1 -39.16 63.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.629 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 mt -62.48 -41.16 98.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -72.24 -46.31 56.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.437 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -74.33 -57.28 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.529 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 60' ' ' GLU . 32.9 m-80 -93.11 -117.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.48 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.19 12.62 83.02 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -147.02 71.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.513 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.78 -160.53 25.49 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -145.77 172.8 12.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.557 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.4 m -134.26 159.93 41.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.519 ' O ' ' CZ ' ' A' ' 15' ' ' PHE . 86.4 m-20 -93.41 -68.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.615 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -166.0 -42.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.679 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 76' ' ' VAL . 35.4 mt-30 -64.39 -47.86 77.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.34 -19.67 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.407 ' CZ ' HG21 ' A' ' 78' ' ' VAL . 7.8 t80 -76.07 -57.89 3.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.339 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 m -52.04 -25.95 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.665 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 72' ' ' GLN . 58.8 t -62.79 -45.11 99.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.636 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 7.6 mp -67.41 -46.67 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.498 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.407 HG21 ' CZ ' ' A' ' 74' ' ' TYR . 98.7 t -53.3 -34.59 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.732 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.63 -19.34 31.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.751 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.77 -64.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.47 -20.02 65.23 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.896 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.412 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 54.4 m -71.45 -43.68 66.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.517 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 79' ' ' ALA . 75.5 t -63.35 -33.99 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.738 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.02 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.709 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 23.6 p -93.17 -43.15 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.674 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.523 ' ND2' ' CE1' ' A' ' 88' ' ' PHE . 9.1 t-20 -39.55 116.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.703 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 89' ' ' PHE . 62.1 t30 -97.89 -72.18 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.514 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.523 ' CE1' ' ND2' ' A' ' 86' ' ' ASN . 20.0 m-85 53.42 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.62 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 46.1 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.64 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -75.37 156.77 35.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.491 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -63.12 -26.62 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.18 -27.65 55.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.22 -56.05 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.781 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -78.95 -20.84 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.656 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.32 -45.97 65.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mmm -72.63 -30.15 64.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.54 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -65.21 -28.43 69.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.1 m -73.29 -30.95 63.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.702 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.18 -55.17 13.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.405 HG21 HD13 ' B' ' 12' ' ' ILE . 3.7 tt -63.12 -25.93 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.758 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -55.76 -37.97 69.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.26 -27.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.685 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' B' ' 70' ' ' ASP . 55.4 t80 -64.91 -62.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.53 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 4.3 p80 -59.39 -23.75 62.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.652 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.457 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -68.1 -38.05 81.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.768 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -89.63 -30.62 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.417 ' C ' ' H ' ' B' ' 21' ' ' LYS . 7.8 p -70.1 -20.75 63.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.711 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.21 16.39 4.71 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' B' ' 19' ' ' SER . 24.6 mtpp -100.34 173.81 6.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 110.6 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.31 146.21 19.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.648 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.82 -115.28 2.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -72.58 -28.47 62.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 0.0 110.534 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.448 ' HZ2' ' HB3' ' B' ' 25' ' ' LYS . 7.7 mtpp 63.68 7.89 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.437 ' CG ' ' O ' ' B' ' 25' ' ' LYS . 82.1 m-85 -154.97 -38.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -102.09 154.39 19.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 46.6 tp -103.91 133.43 48.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.5 t -61.36 -138.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -140.73 -47.4 0.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.517 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.486 ' O ' ' OE1' ' B' ' 35' ' ' GLU . 47.1 mtmt -66.82 -22.89 65.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.553 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -70.39 -27.55 64.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.13 -48.22 81.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.712 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -50.59 -25.38 4.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.587 ' OE1' ' N ' ' B' ' 35' ' ' GLU . 10.6 mp0 -83.22 -57.4 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.94 -28.75 68.54 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.95 -179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -54.7 -51.8 64.41 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.117 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -72.31 -44.65 62.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.12 -43.91 91.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.73 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -72.83 -39.15 66.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' B' ' 81' ' ' LEU . 88.9 mt -90.53 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.466 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 1.0 OUTLIER 79.07 41.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.547 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.38 -55.84 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.562 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 56.0 m-85 -62.82 -41.99 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.699 0.285 . . . . 0.0 110.661 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.658 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -67.9 -37.24 81.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.303 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -62.05 -13.83 30.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.9 65.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.708 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.07 134.9 41.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.466 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.44 ' NZ ' ' O ' ' B' ' 85' ' ' CYS . 13.1 pttm -101.35 -43.66 5.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.584 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -72.83 149.75 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.518 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.17 -59.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.83 -43.51 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.698 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.99 86.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.651 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.01 -31.41 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.88 -20.26 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.364 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -58.66 -47.96 82.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.368 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.23 -33.06 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mmm -68.1 -28.88 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.604 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -53.8 -35.17 61.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' B' ' 64' ' ' ASN . 86.3 mt-10 -52.99 -39.2 62.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.647 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.45 -41.28 98.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -72.2 -46.26 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.445 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -74.36 -57.2 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.556 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' B' ' 60' ' ' GLU . 32.6 m-80 -93.18 -117.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.47 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.13 12.61 83.08 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -147.06 71.58 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.878 0.371 . . . . 0.0 110.47 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.8 -160.57 25.58 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -145.8 172.76 12.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.585 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.1 m -134.24 159.91 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.517 ' O ' ' CZ ' ' B' ' 15' ' ' PHE . 86.2 m-20 -93.44 -68.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -165.92 -42.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.625 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.539 ' O ' HG23 ' B' ' 76' ' ' VAL . 35.4 mt-30 -64.44 -47.85 77.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.717 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.25 -19.74 64.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.412 ' CZ ' HG21 ' B' ' 78' ' ' VAL . 7.8 t80 -76.13 -57.77 3.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.415 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 m -52.01 -26.11 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 72' ' ' GLN . 59.1 t -62.74 -45.06 99.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.625 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.448 ' N ' HD12 ' B' ' 77' ' ' LEU . 7.6 mp -67.36 -46.64 72.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' B' ' 74' ' ' TYR . 98.8 t -53.35 -34.64 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.693 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.493 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.5 -19.49 31.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.751 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.78 -64.7 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.28 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.575 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.56 -20.07 65.34 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.94 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.412 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 53.3 m -71.29 -43.79 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.471 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 79' ' ' ALA . 74.2 t -63.46 -33.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.591 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.04 75.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.71 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 23.4 p -93.12 -43.19 8.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.685 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.529 ' ND2' ' CE1' ' B' ' 88' ' ' PHE . 9.1 t-20 -39.54 116.37 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.648 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' B' ' 89' ' ' PHE . 61.9 t30 -97.92 -72.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.529 ' CE1' ' ND2' ' B' ' 86' ' ' ASN . 20.0 m-85 53.19 -80.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.768 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' B' ' 89' ' ' PHE . 46.2 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.718 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -81.76 162.11 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 52.5 mp0 -59.4 -29.19 67.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.434 HD11 HD23 ' B' ' 11' ' ' LEU . 42.9 tp -68.69 -33.79 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.29 -43.72 97.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.776 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 t -84.09 -20.99 31.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.623 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.88 -41.49 33.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.4 mmm -70.13 -34.79 73.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.59 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.27 -23.3 66.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.602 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.4 m -73.54 -35.13 65.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.669 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD23 HD11 ' B' ' 4' ' ' LEU . 11.0 mt -76.51 -44.67 34.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.642 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -63.58 -39.25 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.365 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.427 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 53.2 t-20 -56.8 -54.94 40.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.03 -32.92 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.721 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -51.37 -52.37 46.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.653 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.509 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 5.1 p80 -74.64 -23.57 58.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.707 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.482 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -65.66 -29.81 70.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.692 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -89.98 -49.21 6.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.811 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.7 t -60.46 -14.4 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.667 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.11 -58.44 2.33 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -60.37 -51.72 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.675 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -139.73 173.05 11.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.624 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.85 -169.44 40.55 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.91 169.35 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -59.52 -65.41 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -104.43 -31.37 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.728 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -82.98 176.99 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.576 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -142.48 133.24 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -84.42 173.69 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.687 -179.818 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' N ' ' OG ' ' A' ' 29' ' ' SER . 57.2 mttm -82.0 -37.56 26.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.665 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -52.58 -38.79 60.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -72.01 -37.34 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.477 HD21 ' CD1' ' A' ' 74' ' ' TYR . 7.2 mt -57.23 -59.33 5.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.668 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -47.68 -25.35 1.17 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.704 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -83.77 -57.38 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.313 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.35 -28.74 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.154 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.37 -52.52 64.27 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.451 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' SER . 85.1 mt-30 -65.82 -38.26 88.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.7 m -65.97 -48.1 72.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.57 -49.21 56.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.797 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.3 mt -76.07 -61.46 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.721 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.6 p 39.52 36.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.577 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.99 -62.89 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -49.35 -44.01 44.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.649 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.25 -26.97 66.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.453 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -78.96 4.07 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.8 -77.28 0.59 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.52 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 52.55 58.05 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -52.51 -42.82 64.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.657 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.73 179.98 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 52' ' ' ASP . 2.9 p -138.29 -41.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 51' ' ' VAL . 90.9 m-20 -63.42 -58.04 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.545 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.23 -39.81 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.579 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.49 -30.54 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.418 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -67.12 -44.02 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.696 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -53.92 -64.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.504 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 58' ' ' MET . 5.6 p -49.49 -40.01 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.607 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.417 ' N ' HG13 ' A' ' 57' ' ' VAL . 6.0 ttp -71.42 -35.44 70.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.88 -27.82 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.745 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -49.02 -37.93 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.645 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.69 -42.64 84.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.17 -40.84 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.524 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.0 -28.9 70.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -128.81 -92.18 0.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.497 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.67 14.27 42.63 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -157.34 47.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 110.546 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.63 155.61 26.65 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 mp0 -92.31 161.33 14.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -131.09 149.98 34.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -95.19 171.22 8.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.589 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.412 ' O ' HG22 ' A' ' 75' ' ' VAL . 68.8 t80 -49.51 -42.8 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.678 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.87 -46.05 83.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.783 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.76 -18.65 63.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.935 0.398 . . . . 0.0 110.245 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.477 ' CD1' HD21 ' A' ' 33' ' ' LEU . 6.1 t80 -82.18 -63.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.459 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.552 HG23 ' N ' ' A' ' 76' ' ' VAL . 28.7 m -45.22 -47.93 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.721 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.552 ' N ' HG23 ' A' ' 75' ' ' VAL . 6.8 p -63.39 -30.04 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.526 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -59.4 -46.69 87.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.446 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.36 -33.83 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.617 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -59.1 -19.56 45.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.31 -63.13 1.47 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.942 0.401 . . . . 0.0 110.187 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.831 HD23 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -54.54 -23.77 17.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.828 179.73 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.831 ' N ' HD23 ' A' ' 81' ' ' LEU . 91.3 m -75.27 -48.45 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.625 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 79' ' ' ALA . 72.5 t -64.46 -28.74 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.04 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 99.1 m -93.69 -42.23 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.571 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -77.27 96.9 4.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.773 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -103.08 97.82 7.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.426 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 6.5 t80 -80.25 -18.81 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 31.0 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.529 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -81.79 162.14 23.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.572 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 52.4 mp0 -59.32 -29.33 67.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.593 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.433 HD11 HD23 ' A' ' 11' ' ' LEU . 42.9 tp -68.59 -33.81 74.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.748 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.24 -43.81 97.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -83.93 -21.07 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.683 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.93 -41.48 33.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.554 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 73.3 mmm -70.09 -34.85 73.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.608 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.29 -23.21 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.9 m -73.53 -35.3 65.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.434 HD23 HD11 ' A' ' 4' ' ' LEU . 11.1 mt -76.37 -44.73 35.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.731 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.654 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -63.67 -39.21 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.289 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.421 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 53.2 t-20 -56.71 -55.07 38.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.811 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.98 -32.93 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.769 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -51.39 -52.23 47.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.665 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.516 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 5.1 p80 -74.75 -23.56 58.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.485 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -65.72 -29.65 70.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.759 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -90.05 -49.31 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.726 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -60.42 -14.43 18.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.663 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.14 -58.33 2.34 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -60.43 -51.65 68.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 110.668 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -139.77 173.11 11.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.654 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.81 -169.51 40.72 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.83 169.3 3.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.582 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -59.54 -65.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.718 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -104.33 -31.33 9.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -83.01 177.04 8.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -142.52 133.15 25.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.422 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' B' ' 30' ' ' LYS . 0.3 OUTLIER -84.42 173.64 10.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.787 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.47 ' N ' ' OG ' ' B' ' 29' ' ' SER . 57.2 mttm -81.93 -37.55 26.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.67 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -52.66 -38.61 60.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.653 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -72.19 -37.23 69.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.771 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.471 HD21 ' CD1' ' B' ' 74' ' ' TYR . 7.2 mt -57.24 -59.43 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.649 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -47.5 -25.48 1.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.719 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -83.74 -57.4 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.281 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.33 -28.84 68.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.169 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.19 -52.59 63.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.358 . . . . 0.0 110.432 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' B' ' 42' ' ' SER . 85.2 mt-30 -65.94 -38.19 88.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.699 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.5 m -66.1 -48.11 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.78 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -69.47 -49.3 56.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' B' ' 42' ' ' SER . 75.0 mt -76.0 -61.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.754 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.435 ' N ' ' O ' ' B' ' 38' ' ' GLN . 2.6 p 39.52 36.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.95 -62.83 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -49.3 -44.06 43.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.6 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.15 -27.17 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -78.85 4.13 14.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.622 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.82 -77.34 0.59 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.482 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 52.46 58.12 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.614 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -52.61 -42.78 64.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.88 179.94 6.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.419 HG13 ' N ' ' B' ' 52' ' ' ASP . 2.9 p -138.21 -41.89 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.499 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.419 ' N ' HG13 ' B' ' 51' ' ' VAL . 90.8 m-20 -63.49 -58.04 8.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.496 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.84 70.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.1 t -65.33 -30.55 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.485 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -67.12 -44.13 80.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -53.81 -64.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.512 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.43 HG13 ' N ' ' B' ' 58' ' ' MET . 5.6 p -49.46 -40.04 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.591 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.43 ' N ' HG13 ' B' ' 57' ' ' VAL . 6.0 ttp -71.22 -35.65 71.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.77 -27.85 67.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.756 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -49.02 -37.95 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.666 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 69.5 mt -57.67 -42.73 84.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.488 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -68.14 -40.85 82.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.01 -28.91 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.526 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -128.82 -92.11 0.47 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.437 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.55 14.48 42.77 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -157.5 47.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.58 155.62 26.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.5 mp0 -92.32 161.36 14.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.751 0.31 . . . . 0.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.8 m -131.1 149.98 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -95.19 171.27 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.505 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.415 ' O ' HG22 ' B' ' 75' ' ' VAL . 68.9 t80 -49.52 -42.86 44.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.676 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.8 -46.03 83.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.81 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.81 -18.76 63.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.228 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.471 ' CD1' HD21 ' B' ' 33' ' ' LEU . 6.3 t80 -82.03 -63.95 1.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.571 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.548 HG23 ' N ' ' B' ' 76' ' ' VAL . 28.7 m -45.22 -47.95 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.697 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.548 ' N ' HG23 ' B' ' 75' ' ' VAL . 6.8 p -63.37 -29.97 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.606 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.561 HD13 ' O ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -59.56 -46.55 88.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.472 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.46 -33.75 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.644 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.54 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -59.08 -19.71 46.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.612 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.15 -63.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.813 HD23 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -54.58 -23.71 18.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.866 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.813 ' N ' HD23 ' B' ' 81' ' ' LEU . 91.6 m -75.32 -48.39 23.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 79' ' ' ALA . 72.7 t -64.51 -28.7 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.02 72.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 98.9 m -93.65 -42.17 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -77.32 96.93 4.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.677 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -103.06 97.73 7.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.483 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.475 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 6.6 t80 -80.23 -18.71 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.529 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.475 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 31.0 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -146.32 167.9 22.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.47 -27.93 67.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.652 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.3 tt -76.15 -46.22 29.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.488 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -57.93 -48.66 79.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.783 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -69.72 -20.86 63.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.609 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -55.37 -44.59 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.4 mmm -73.6 -30.51 63.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 78.0 mm-40 -65.76 -20.84 66.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.729 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -82.82 -32.42 27.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.708 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mt -67.55 -46.47 72.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.764 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 tt -66.57 -27.61 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 66.9 m-20 -59.36 -39.05 82.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.671 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.504 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 93.2 t -83.56 -27.71 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.702 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -66.24 -62.16 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.542 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.3 p80 -61.43 -12.72 15.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.784 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -59.84 -54.75 42.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.78 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 2.2 p80 -87.19 -40.73 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.653 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -55.0 -31.69 61.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.7 -53.02 26.13 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -62.63 -75.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -126.17 121.69 33.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.461 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.56 -164.4 36.24 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 26' ' ' TYR . 66.3 m-20 -90.25 13.69 14.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.503 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp 57.16 -75.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.538 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' A' ' 24' ' ' ASP . 88.8 m-85 -63.1 -27.15 69.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.497 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -142.41 -172.89 3.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.433 ' O ' HG22 ' A' ' 69' ' ' VAL . 3.4 tp -139.96 151.28 45.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.522 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -74.76 160.79 30.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -83.12 -22.59 33.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.598 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -56.23 -41.06 75.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -74.39 -29.04 61.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.684 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tp -46.01 -35.83 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.65 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.04 -65.95 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' ' OG1' ' A' ' 39' ' ' THR . 55.3 mp0 -66.41 -42.37 87.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.62 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -47.92 -36.65 12.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.293 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.65 -65.26 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.659 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.406 ' HG2' HD13 ' A' ' 45' ' ' LEU . 65.7 mt-30 -64.09 -51.91 61.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 25.7 m -40.73 -45.25 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.788 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.17 -47.09 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD1' HD11 ' A' ' 81' ' ' LEU . 88.1 mt -74.74 -99.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.545 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.44 ' H ' HD21 ' A' ' 45' ' ' LEU . 1.5 t 74.16 37.39 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.634 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.38 -44.38 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 58.2 m-85 -69.81 -27.78 65.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.585 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -82.47 -4.34 57.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.485 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -85.15 13.19 6.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.59 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.96 -77.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 57.3 51.87 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.609 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -59.38 -37.47 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.95 175.11 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 52' ' ' ASP . 7.0 p -137.61 -42.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.473 ' N ' HG13 ' A' ' 51' ' ' VAL . 90.1 m-20 -61.03 -45.9 92.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.514 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.59 -37.97 73.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.42 -23.81 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.532 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -76.3 -37.5 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -61.16 -56.8 16.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.626 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 58' ' ' MET . 12.2 p -55.41 -38.1 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.524 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.443 ' N ' HG13 ' A' ' 57' ' ' VAL . 33.6 tpp -77.26 -34.07 55.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.98 -34.0 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.583 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -53.47 -44.14 68.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.578 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.41 -35.22 73.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.608 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.14 -37.63 87.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.06 -74.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -149.88 106.1 3.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.08 20.01 45.7 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.71 102.63 10.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.05 -161.2 33.85 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.427 ' CD ' ' OD2' ' A' ' 24' ' ' ASP . 94.0 mt-10 -138.5 143.14 39.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 110.559 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 28' ' ' LEU . 16.1 m -84.42 175.83 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.593 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 72' ' ' GLN . 55.9 p30 -147.37 54.05 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.698 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 74' ' ' TYR . 40.5 t80 60.73 -70.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.716 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' A' ' 70' ' ' ASP . 34.2 mt-30 -47.36 -37.67 11.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.0 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -82.63 -18.72 40.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.701 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.581 ' O ' HG23 ' A' ' 78' ' ' VAL . 4.2 t80 -89.49 -33.15 16.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.6 m -77.69 -36.05 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 77' ' ' LEU . 6.2 p -66.95 -42.0 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.668 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.503 ' N ' HG13 ' A' ' 76' ' ' VAL . 90.6 mt -64.87 -38.57 91.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.686 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 74' ' ' TYR . 45.2 t -57.37 -31.01 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.702 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.51 30.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.186 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.38 -19.85 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.965 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 94.1 m -61.18 -54.76 40.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.644 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.2 t -66.33 -31.13 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.18 -39.32 69.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.701 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.541 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 3.2 m -102.92 -56.94 2.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.731 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' CYS . 51.9 t-20 -36.6 132.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.694 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -121.0 88.53 2.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -85.78 -77.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.679 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -71.14 -38.04 72.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -48.91 -42.74 38.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -146.48 140.74 26.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.465 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -87.89 -75.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.622 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.014 -0.994 . . . . 0.0 110.568 -179.935 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -146.33 167.96 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.303 . . . . 0.0 110.599 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.54 -27.84 67.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.653 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.3 tt -76.26 -46.19 29.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.473 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -57.89 -48.67 79.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.762 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -69.77 -20.87 63.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.63 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -55.38 -44.56 76.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.5 mmm -73.64 -30.52 62.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 77.9 mm-40 -65.8 -20.82 66.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.713 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -82.82 -32.36 27.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.751 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mt -67.57 -46.5 72.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.793 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 tt -66.46 -27.72 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.748 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 66.9 m-20 -59.26 -39.1 81.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.656 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.502 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 92.8 t -83.57 -27.65 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.726 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -66.31 -62.1 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.757 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.535 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.4 p80 -61.4 -12.79 15.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.772 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -59.78 -54.8 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.753 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' B' ' 14' ' ' VAL . 2.2 p80 -87.17 -40.67 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -55.1 -31.66 61.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.589 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.61 -53.09 26.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -62.61 -75.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.571 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -126.17 121.69 33.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 -164.44 36.27 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' B' ' 26' ' ' TYR . 66.2 m-20 -90.17 13.59 14.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.744 0.306 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp 57.22 -75.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.557 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.576 ' N ' ' O ' ' B' ' 24' ' ' ASP . 88.7 m-85 -63.16 -27.15 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.494 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -142.4 -172.82 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.435 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.437 ' O ' HG22 ' B' ' 69' ' ' VAL . 3.4 tp -140.02 151.3 45.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -74.78 160.85 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.652 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -83.13 -22.59 33.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' B' ' 31' ' ' LYS . 0.4 OUTLIER -56.3 -40.96 75.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -74.4 -29.11 61.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tp -45.95 -35.91 5.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.621 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.04 -65.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.454 ' O ' ' OG1' ' B' ' 39' ' ' THR . 55.2 mp0 -66.41 -42.39 87.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 110.61 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.8 tp -48.01 -36.55 13.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.305 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.76 -65.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.67 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -64.02 -51.95 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 25.9 m -40.75 -45.28 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.17 -47.05 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.464 ' CD1' HD11 ' B' ' 81' ' ' LEU . 88.3 mt -74.78 -99.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.514 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.442 ' H ' HD21 ' B' ' 45' ' ' LEU . 1.5 t 74.18 37.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.655 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.35 -44.34 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.522 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 58.1 m-85 -69.84 -27.79 65.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.32 . . . . 0.0 110.563 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.607 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -82.49 -4.26 57.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.496 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -85.21 13.21 6.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.59 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.02 -77.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 57.29 51.86 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.644 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -59.41 -37.44 78.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.583 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.9 175.04 10.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.484 HG13 ' N ' ' B' ' 52' ' ' ASP . 7.0 p -137.58 -42.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.484 ' N ' HG13 ' B' ' 51' ' ' VAL . 90.1 m-20 -61.01 -45.85 93.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.58 -38.05 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.45 -23.76 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' B' ' 59' ' ' LYS . 39.3 t0 -76.37 -37.44 57.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.589 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -61.15 -56.77 16.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.434 HG13 ' N ' ' B' ' 58' ' ' MET . 12.2 p -55.4 -38.14 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.434 ' N ' HG13 ' B' ' 57' ' ' VAL . 33.6 tpp -77.22 -34.09 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.587 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' B' ' 55' ' ' ASP . 76.1 tttt -57.97 -33.98 69.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.603 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -53.51 -44.17 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.6 mt -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.15 -37.68 88.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.614 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.97 -74.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -149.89 106.11 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.613 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.13 20.04 45.69 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.76 102.62 10.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.764 0.316 . . . . 0.0 110.541 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.05 -161.25 33.91 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.424 ' CD ' ' OD2' ' B' ' 24' ' ' ASP . 94.1 mt-10 -138.48 143.2 39.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.495 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.437 HG22 ' O ' ' B' ' 28' ' ' LEU . 16.1 m -84.44 175.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' B' ' 72' ' ' GLN . 55.9 p30 -147.42 54.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 40.8 t80 60.75 -70.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.72 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' B' ' 70' ' ' ASP . 34.2 mt-30 -47.46 -37.64 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.025 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -82.63 -18.67 40.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.593 ' O ' HG23 ' B' ' 78' ' ' VAL . 4.3 t80 -89.48 -33.18 16.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.404 HG23 ' N ' ' B' ' 76' ' ' VAL . 22.6 m -77.66 -36.07 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.608 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.504 HG13 ' N ' ' B' ' 77' ' ' LEU . 6.2 p -66.92 -42.01 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.704 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.504 ' N ' HG13 ' B' ' 76' ' ' VAL . 90.6 mt -64.86 -38.6 91.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 74' ' ' TYR . 45.5 t -57.38 -31.02 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.732 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.7 -19.67 30.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.81 -64.78 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.184 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.595 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.38 -19.93 65.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.004 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 94.1 m -61.14 -54.74 40.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.7 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.4 t -66.33 -31.16 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.623 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.37 69.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 3.2 m -102.88 -56.93 2.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.695 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' B' ' 85' ' ' CYS . 52.0 t-20 -36.64 132.34 0.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.664 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -121.01 88.52 2.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -85.77 -77.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.688 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -71.13 -38.09 72.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.597 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -48.81 -42.74 37.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -146.5 140.71 26.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.439 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -87.9 -75.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.675 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.585 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -83.97 153.41 23.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 0.0 110.549 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.13 -33.79 73.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.1 tp -69.66 -34.0 73.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.616 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' B' ' 41' ' ' LEU . 95.6 mt-10 -60.86 -50.2 74.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.713 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -78.65 -20.71 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.76 -43.17 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.527 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 84.7 mmm -75.77 -33.7 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.493 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 95.2 mt-10 -63.79 -28.95 70.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.61 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.8 m -74.97 -30.15 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.51 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.92 -51.37 22.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -64.49 -27.31 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 78.1 m-20 -54.54 -37.76 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.566 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 t -85.37 -25.64 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.559 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.72 -59.46 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.622 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.515 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 5.2 p80 -64.49 -20.14 66.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.51 77.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.733 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -79.67 -48.0 14.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.656 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.7 t -55.65 -34.35 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.77 -4.56 14.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -93.16 -132.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.518 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -80.38 158.39 26.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.64 -167.71 31.24 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.22 134.19 50.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.587 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' CD ' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -86.7 -24.85 25.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.96 -39.39 72.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -143.35 158.42 43.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.552 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.459 ' CG ' ' H ' ' A' ' 29' ' ' SER . 4.1 tp -93.55 -142.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.438 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.459 ' H ' ' CG ' ' A' ' 28' ' ' LEU . 74.2 p -154.07 174.17 15.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.565 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.25 -31.82 15.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.82 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 1.9 mptp? -57.72 -57.32 13.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.647 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -64.15 -32.95 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.742 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -54.47 -45.33 73.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.657 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 37' ' ' LEU . 87.1 tttt -63.64 -25.29 68.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -80.07 -50.16 10.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 pp -74.92 -24.12 58.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.981 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 34' ' ' LYS . 4.3 mt -51.76 -58.34 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.278 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.563 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.9 pt20 -69.43 -46.91 65.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.74 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -54.21 -46.21 72.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.776 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.97 -43.48 65.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 74.4 mt -86.2 -73.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.639 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.563 ' N ' ' O ' ' A' ' 38' ' ' GLN . 5.7 t 50.17 60.78 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.476 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.77 -51.78 0.03 OUTLIER Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -62.18 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.626 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.58 -21.48 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.632 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.27 -8.52 55.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.666 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.63 85.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.732 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -98.25 109.25 22.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.433 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -66.55 -49.23 67.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.625 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -95.04 -173.03 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 52' ' ' ASP . 14.6 p -143.9 -35.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.606 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 51' ' ' VAL . 10.8 p-10 -60.32 -41.6 93.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.506 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.01 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.489 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.9 t -70.0 -30.68 45.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -74.67 -39.67 61.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.668 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' NZ ' ' CB ' ' A' ' 56' ' ' LYS . 9.4 mtpm? -58.52 -53.03 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.706 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.01 -39.8 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.7 mtt -72.33 -40.15 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -59.76 -34.35 72.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -45.53 -39.36 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.8 -47.61 85.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.479 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -65.85 -41.26 91.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.648 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -63.8 -34.03 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.6 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.4 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 6.8 p-10 -162.65 88.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.641 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.41 51.68 0.92 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -87.68 -16.13 35.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.523 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 89.44 -152.04 22.34 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 67' ' ' GLY . 50.2 mt-10 57.09 117.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.757 0.313 . . . . 0.0 110.637 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.4 134.98 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.9 t0 -94.48 161.43 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.525 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 78.9 t80 -53.55 -43.05 68.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.671 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.431 ' O ' HG23 ' A' ' 76' ' ' VAL . 35.8 mt-30 -66.99 -47.26 72.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.682 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.74 -22.61 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.25 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -71.12 -52.74 17.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 72' ' ' GLN . 17.9 m -59.09 -27.36 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.625 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' B' ' 76' ' ' VAL . 53.8 t -67.06 -51.1 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.464 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.12 -42.92 95.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.654 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.7 t -59.61 -31.75 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.95 -19.48 30.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.93 -65.02 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.127 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -62.32 -20.02 63.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.736 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.0 m -68.87 -56.73 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.547 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.19 -27.64 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -13.01 21.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 86' ' ' ASN . 53.2 t -126.32 -33.19 2.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.666 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 85' ' ' CYS . 14.1 t-20 -36.91 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.555 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.2 m120 57.07 55.47 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.579 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -69.24 -72.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.543 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.9 -45.91 91.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.63 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -44.57 99.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.383 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -66.84 -84.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.649 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.9 m120 55.0 -179.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.593 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -83.97 153.39 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.13 -33.72 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.63 -33.98 73.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 41' ' ' LEU . 95.6 mt-10 -60.8 -50.31 73.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.673 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t -78.59 -20.87 49.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.631 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.75 -43.06 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.512 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 84.7 mmm -75.87 -33.76 60.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.449 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 95.3 mt-10 -63.72 -29.01 70.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.634 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.6 m -74.92 -30.17 61.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.9 -51.38 22.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.756 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -64.51 -27.34 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.685 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 77.9 m-20 -54.58 -37.77 65.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.537 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.5 t -85.29 -25.65 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.628 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.74 -59.43 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.498 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 5.2 p80 -64.49 -20.07 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.58 77.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -79.56 -47.96 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.683 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.0 t -55.81 -34.22 65.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.79 -4.59 14.73 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -93.17 -132.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -80.47 158.43 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.476 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.64 -167.73 31.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.25 134.2 50.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.602 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.522 ' CD ' ' H ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -86.77 -24.73 24.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.552 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.99 -39.43 72.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.528 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -143.37 158.36 43.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.603 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.448 ' CG ' ' H ' ' B' ' 29' ' ' SER . 4.1 tp -93.4 -142.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.576 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.448 ' H ' ' CG ' ' B' ' 28' ' ' LEU . 75.1 p -154.07 174.2 15.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.524 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.25 -31.91 15.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.767 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' B' ' 31' ' ' LYS . 1.9 mptp? -57.64 -57.35 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.672 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -64.27 -32.88 74.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.76 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -54.42 -45.36 72.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.614 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.473 ' HA ' HD12 ' B' ' 37' ' ' LEU . 87.1 tttt -63.56 -25.47 68.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.538 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -79.94 -50.11 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.006 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 pp -74.95 -24.14 58.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.958 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' B' ' 34' ' ' LYS . 4.3 mt -51.83 -58.29 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.249 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' B' ' 42' ' ' SER . 10.0 pt20 -69.52 -46.83 65.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.742 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -54.16 -46.25 72.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.771 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -71.93 -43.56 65.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.407 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 74.6 mt -86.24 -73.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.599 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.556 ' N ' ' O ' ' B' ' 38' ' ' GLN . 5.7 t 50.22 60.84 3.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.47 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.82 -51.79 0.03 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -62.24 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.582 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.6 -21.47 66.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.643 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.29 -8.47 55.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.68 85.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.692 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -98.35 109.31 22.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -66.54 -49.31 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -95.02 -173.1 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.615 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.413 HG13 ' N ' ' B' ' 52' ' ' ASP . 14.6 p -143.92 -35.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.58 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.413 ' N ' HG13 ' B' ' 51' ' ' VAL . 10.7 p-10 -60.22 -41.63 93.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.07 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.9 -30.64 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.584 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -74.72 -39.55 61.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.706 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.409 ' NZ ' ' CB ' ' B' ' 56' ' ' LYS . 9.4 mtpm? -58.66 -53.0 63.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.678 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.02 -39.86 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 51.5 mtt -72.29 -40.15 67.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.587 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -59.74 -34.23 72.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.602 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -45.65 -39.37 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.88 -47.46 86.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -66.0 -41.22 91.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -63.88 -33.94 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' B' ' 64' ' ' ASN . 6.8 p-10 -162.6 88.29 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.714 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.5 51.77 0.91 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -87.75 -16.15 35.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.493 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 89.51 -152.01 22.29 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' B' ' 67' ' ' GLY . 50.2 mt-10 57.15 117.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.585 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.35 135.04 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.9 t0 -94.58 161.36 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.542 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.523 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 78.3 t80 -53.44 -43.13 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG23 ' B' ' 76' ' ' VAL . 35.7 mt-30 -66.87 -47.29 72.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.769 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.71 -22.56 63.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.97 0.414 . . . . 0.0 110.257 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -71.27 -52.67 17.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.417 HG22 ' O ' ' B' ' 72' ' ' GLN . 18.0 m -59.02 -27.5 36.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 54.2 t -67.0 -51.04 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.17 -42.96 96.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 71.9 t -59.56 -31.92 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.51 30.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.04 -64.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.108 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.597 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -62.42 -20.09 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.711 0.291 . . . . 0.0 110.701 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.4 m -68.83 -56.67 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.61 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 91.7 t -58.17 -27.67 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.05 -13.09 22.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' B' ' 86' ' ' ASN . 53.3 t -126.27 -33.18 2.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.632 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' B' ' 85' ' ' CYS . 14.0 t-20 -36.88 -77.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.3 m120 57.08 55.45 6.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -69.21 -72.84 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.85 -45.97 90.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -44.64 99.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -66.92 -84.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 5.0 m120 55.03 -179.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.566 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.499 ' HG ' ' CD ' ' A' ' 5' ' ' GLU . 28.9 p -149.06 172.33 14.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.622 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.25 -26.52 66.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.682 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.8 tp -74.18 -33.89 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.603 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.568 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 0.4 OUTLIER -62.68 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.757 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 t -81.31 -20.9 39.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.696 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.02 -43.79 66.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.53 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 79.0 mmm -73.46 -30.95 63.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.02 -30.51 71.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.1 m -78.4 -32.53 48.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.651 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.79 -53.12 44.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.711 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 tt -61.33 -24.53 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -58.02 -37.29 74.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.9 t -85.48 -27.95 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.765 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.59 -59.34 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.6 p80 -62.48 -22.79 66.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.728 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -63.91 -42.29 97.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.698 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -91.47 -24.82 19.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.69 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.1 p -61.0 -27.09 68.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.53 -161.31 27.26 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt 49.22 -111.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.757 0.313 . . . . 0.0 110.61 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -82.76 164.97 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.18 -148.74 19.31 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -85.86 -178.34 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.86 0.362 . . . . 0.0 110.632 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.36 -48.56 69.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.694 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -141.52 3.93 1.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.943 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -106.26 131.82 53.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.468 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.527 ' O ' HG22 ' A' ' 69' ' ' VAL . 4.6 tp -95.4 145.52 25.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.498 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.447 ' HA ' ' H ' ' A' ' 68' ' ' GLU . 85.7 p -97.88 154.48 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.455 ' H ' ' HA2' ' A' ' 67' ' ' GLY . 67.4 mttm -57.99 -27.38 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.65 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -58.12 -27.2 63.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.413 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -76.88 -44.42 32.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.729 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.439 HD13 HD13 ' A' ' 77' ' ' LEU . 6.5 mt -48.1 -21.44 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.382 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -64.52 -62.16 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -79.22 -44.6 21.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.587 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tp -46.15 -57.3 4.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.508 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 37' ' ' LEU . 29.1 mt -43.95 -64.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.234 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.32 -52.23 62.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.849 0.357 . . . . 0.0 111.081 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.4 m -42.79 -46.4 5.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.247 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -91.15 -50.31 5.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.971 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.524 ' O ' HD21 ' A' ' 45' ' ' LEU . 56.6 mt -96.61 97.27 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.468 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 p -128.29 16.55 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.588 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.85 -36.34 1.71 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -66.78 -47.21 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.656 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.621 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -73.22 -13.88 61.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.39 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.67 -33.47 76.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.393 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' GLN . . . -103.09 -44.13 5.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.615 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' ALA . 7.0 pt20 32.49 79.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.973 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -57.76 -40.54 79.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.652 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -103.68 -172.5 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.13 -47.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.69 -42.39 67.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.692 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -44.82 80.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.66 -27.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.663 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -76.72 -37.77 55.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.665 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -61.29 -50.06 74.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.38 -41.44 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.691 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.0 ttp -77.06 -32.56 56.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.615 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' ASP . 52.1 tttp -65.81 -51.18 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.477 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -45.85 -31.01 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.224 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.63 -34.99 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.45 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' LYS . 91.1 m-20 -66.69 -36.79 83.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.785 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.93 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.472 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 1.6 p30 -93.39 -73.82 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.614 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . 51.14 26.58 12.8 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.68 -75.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.731 0.3 . . . . 0.0 110.582 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 156.18 -178.1 32.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 67' ' ' GLY . 49.4 mt-10 54.62 113.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 110.81 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 28' ' ' LEU . 3.9 m -140.57 153.27 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.502 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -93.18 159.79 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.68 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -55.36 -36.05 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.654 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' VAL . 31.0 mt-30 -62.04 -40.49 95.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.728 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -72.73 -31.27 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 0.0 110.454 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -63.57 -51.28 66.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.394 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 m -60.16 -31.31 47.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.55 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 72' ' ' GLN . 46.8 t -63.88 -55.35 22.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.52 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.439 HD13 HD13 ' A' ' 33' ' ' LEU . 13.9 mt -57.46 -42.35 82.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.664 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.464 ' O ' ' OG1' ' A' ' 82' ' ' THR . 56.0 t -57.32 -33.36 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.54 -19.54 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -64.76 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.224 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.575 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -64.24 -19.91 65.69 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.86 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 90.4 m -66.37 -53.69 33.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.709 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.27 -24.97 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.549 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.88 -35.65 77.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.799 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.2 t -102.74 -20.99 14.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.668 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 82' ' ' THR . 56.6 t-20 -47.28 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.654 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.4 m120 56.39 46.23 21.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -65.56 -77.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.665 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -68.39 -35.58 77.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.698 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -53.19 98.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.672 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 93' ' ' SER . 78.0 mm-40 -68.73 -31.19 70.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.1 t30 47.08 -91.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.638 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' GLU . 58.6 p . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.561 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.481 ' HG ' ' CD ' ' B' ' 5' ' ' GLU . 29.3 p -148.97 172.44 14.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.633 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.4 -26.44 66.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 58.4 tp -74.21 -33.88 63.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.593 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.572 ' OE1' ' N ' ' B' ' 5' ' ' GLU . 0.4 OUTLIER -62.76 -43.18 99.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.728 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.3 t -81.44 -20.83 39.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.653 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.09 -43.78 67.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.492 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 79.0 mmm -73.52 -30.92 63.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.439 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.14 -30.43 71.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.531 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 76.4 m -78.49 -32.46 48.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -65.87 -53.16 43.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 tt -61.3 -24.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -58.11 -37.18 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.751 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.55 -27.93 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.752 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -65.6 -59.43 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.799 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.532 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.6 p80 -62.44 -22.75 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.77 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.435 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -64.04 -42.19 97.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -91.5 -24.86 19.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.653 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.2 p -60.94 -27.11 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.61 -161.29 27.42 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt 49.18 -111.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 0.0 110.519 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -82.74 164.92 20.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.21 -148.75 19.31 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -85.8 -178.41 6.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.35 . . . . 0.0 110.626 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.34 -48.55 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.668 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -141.57 3.92 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.909 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -106.28 131.7 53.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 110.523 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.517 ' O ' HG22 ' B' ' 69' ' ' VAL . 4.6 tp -95.25 145.53 25.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.494 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.445 ' HA ' ' H ' ' B' ' 68' ' ' GLU . 85.7 p -97.94 154.35 17.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.601 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.461 ' H ' ' HA2' ' B' ' 67' ' ' GLY . 67.4 mttm -57.97 -27.33 63.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.681 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -58.02 -27.27 63.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.435 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -76.94 -44.45 31.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.65 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.443 HD13 HD13 ' B' ' 77' ' ' LEU . 6.5 mt -48.04 -21.5 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.416 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -64.55 -62.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.609 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -79.18 -44.69 21.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tp -46.18 -57.24 4.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.49 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.408 HD12 ' O ' ' B' ' 33' ' ' LEU . 29.1 mt -44.05 -64.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.156 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.39 -52.15 62.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.774 0.321 . . . . 0.0 111.075 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.5 m -42.87 -46.39 5.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.186 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -91.1 -50.38 5.88 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.961 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.529 ' O ' HD21 ' B' ' 45' ' ' LEU . 56.6 mt -96.58 97.15 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.534 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.8 p -128.27 16.67 6.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.91 -36.27 1.71 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -66.73 -47.27 72.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.626 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.605 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -73.23 -13.93 61.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.338 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.62 -33.45 75.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.415 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' B' ' 48' ' ' GLN . . . -103.09 -44.16 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' B' ' 47' ' ' ALA . 7.0 pt20 32.35 80.03 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.925 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.434 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.7 OUTLIER -57.82 -40.52 80.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.639 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -103.73 -172.48 2.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.612 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.12 -47.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.81 -42.38 68.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.617 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.7 -44.86 80.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.68 -27.14 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -76.59 -37.88 55.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.721 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -61.34 -49.93 74.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.49 -41.35 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.664 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 63.9 ttp -77.04 -32.63 57.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.663 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' B' ' 62' ' ' ASP . 52.2 tttp -65.75 -51.16 61.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.585 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -45.88 -30.92 1.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.272 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.72 -35.02 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.393 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' B' ' 59' ' ' LYS . 91.3 m-20 -66.57 -36.87 83.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.752 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.85 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.686 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.473 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 1.6 p30 -93.41 -73.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.473 ' H ' ' CG ' ' B' ' 64' ' ' ASN . . . 51.21 26.59 13.41 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -66.62 -75.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 156.3 -178.15 32.94 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' B' ' 67' ' ' GLY . 49.4 mt-10 54.67 113.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.742 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.517 HG22 ' O ' ' B' ' 28' ' ' LEU . 4.0 m -140.58 153.18 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -93.14 159.83 15.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.729 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -55.35 -36.2 66.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.582 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.503 ' O ' HG23 ' B' ' 76' ' ' VAL . 31.0 mt-30 -61.94 -40.53 95.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.702 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -72.75 -31.31 64.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.418 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.54 -51.38 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.1 m -60.05 -31.26 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.619 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 72' ' ' GLN . 47.0 t -63.93 -55.29 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.53 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.443 HD13 HD13 ' B' ' 33' ' ' LEU . 13.8 mt -57.51 -42.36 82.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.567 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.439 ' O ' ' OG1' ' B' ' 82' ' ' THR . 55.7 t -57.34 -33.46 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.742 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.38 -19.56 31.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.96 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.24 -64.65 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.211 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.576 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -64.25 -20.0 65.76 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.879 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 90.1 m -66.3 -53.8 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.673 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.22 -25.0 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.563 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.81 -35.69 77.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.768 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -102.66 -20.91 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.753 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -47.43 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.612 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 34.5 m120 56.43 46.18 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.523 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -65.57 -77.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -68.38 -35.74 78.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.648 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -53.08 98.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.564 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' B' ' 93' ' ' SER . 78.0 mm-40 -68.84 -31.26 70.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.471 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 37.2 t30 47.2 -91.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.654 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.472 ' N ' ' O ' ' B' ' 91' ' ' GLU . 58.8 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.571 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -142.37 159.61 41.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.331 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.93 -32.09 71.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.677 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.8 tt -78.48 -42.95 28.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.402 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.84 -42.98 94.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.728 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -77.23 -20.77 54.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.611 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.27 -47.9 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.441 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.8 mmm -70.23 -32.03 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 69.3 mm-40 -65.34 -19.54 66.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -79.89 -45.73 18.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.9 -43.43 83.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.511 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.63 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.52 -42.21 93.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.26 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 53.9 m-20 -54.77 -43.48 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.3 t -76.25 -33.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -54.96 -53.77 51.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.738 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.523 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.4 p80 -71.44 -23.45 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.68 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.488 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -58.93 -38.82 79.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -88.87 -47.32 8.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.7 m -60.82 -39.75 90.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.592 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.78 -32.88 80.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -52.06 149.43 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.521 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -41.45 117.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.478 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.14 -119.53 1.04 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 90.8 m-20 -60.14 158.56 11.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.583 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -84.6 -62.08 1.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.674 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -136.77 24.13 3.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.675 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 46.8 mmtt -130.2 137.38 50.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.717 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 tp -98.26 135.03 40.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -77.51 168.72 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.611 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -86.5 -40.6 15.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.769 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -53.43 -44.44 68.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.608 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -66.62 -30.04 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 77' ' ' LEU . 6.0 tp -52.81 -50.01 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.626 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.26 -25.5 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.804 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.0 mt-10 -79.17 -41.03 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.54 -26.48 30.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.989 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.23 -57.38 12.04 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HG2' HD13 ' A' ' 45' ' ' LEU . 71.5 mt-30 -68.69 -45.88 70.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 11.0 m -55.86 -46.27 78.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.78 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -73.83 -36.53 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.645 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 42' ' ' SER . 79.6 mt -93.15 -103.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 1.4 p 81.68 33.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.626 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.64 -55.39 0.04 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -57.47 -35.83 70.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.568 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.602 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -80.21 -28.15 38.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -73.4 0.41 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.601 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.54 42.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -70.02 125.79 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.617 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -96.09 -48.64 5.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.542 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -79.25 161.95 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.715 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.4 -35.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.354 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -69.0 -58.12 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.496 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.86 -31.18 66.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.491 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 57' ' ' VAL . 74.8 t -71.16 -22.08 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.649 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -80.36 -37.0 33.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -48.18 -51.45 25.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.709 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 54' ' ' VAL . 4.5 p -53.4 -34.68 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.902 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.7 mtt -73.91 -35.02 64.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.805 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -52.76 -58.79 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.522 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -49.91 -32.7 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.387 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.48 -45.32 65.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.439 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 59.3 t0 -71.43 -38.08 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.605 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -58.16 -32.4 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -117.41 -103.74 0.41 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.515 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.63 3.46 68.78 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -150.07 71.5 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -173.99 176.87 46.43 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -106.32 175.85 5.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.8 146.7 30.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.24 168.56 11.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -58.97 -38.48 79.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.761 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 76' ' ' VAL . 31.2 mt-30 -70.67 -47.5 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.795 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 1.5 mp0 -70.65 -20.4 62.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 0.0 110.261 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -73.33 -52.96 12.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 72' ' ' GLN . 20.1 m -58.15 -29.76 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.613 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.1 t -63.27 -51.72 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.613 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 33' ' ' LEU . 98.6 mt -57.73 -42.37 83.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.556 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 65.7 t -62.23 -31.17 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.629 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.72 -19.3 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.59 -64.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.75 -19.84 65.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.967 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' ASN . 57.4 m -71.12 -52.01 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.708 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 79' ' ' ALA . 92.4 t -58.77 -36.82 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.665 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.49 95.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.8 m -92.24 -6.18 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 82' ' ' THR . 41.8 t30 -64.26 137.97 58.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.639 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -133.45 36.55 3.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -55.59 -41.76 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -142.94 -15.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -58.03 -9.83 1.56 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.522 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -48.78 153.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 93' ' ' SER . 57.3 t30 -44.44 -34.45 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 92' ' ' ASN . 3.2 t . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -142.33 159.66 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.609 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.93 -32.18 71.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.681 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.8 tt -78.5 -42.91 28.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.443 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -59.83 -42.94 94.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.719 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.1 t -77.23 -20.87 54.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.26 -47.86 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.412 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.9 mmm -70.32 -31.97 69.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 69.3 mm-40 -65.27 -19.66 66.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.533 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -79.95 -45.65 18.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.496 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.6 mt -66.97 -43.35 83.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.619 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -61.62 -42.21 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.148 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.457 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 53.8 m-20 -54.74 -43.46 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.527 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 74.8 t -76.31 -33.43 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.87 -53.83 50.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.752 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.53 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.4 p80 -71.35 -23.44 61.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.711 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.484 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.02 -38.8 80.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.467 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -88.78 -47.4 8.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.8 m -60.8 -39.81 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.8 -32.78 80.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -51.89 149.36 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 110.574 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -41.54 117.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.499 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.13 -119.45 1.03 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' B' ' 27' ' ' LYS . 90.8 m-20 -60.12 158.49 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.628 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -84.55 -62.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.709 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -136.79 24.2 3.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.607 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' B' ' 24' ' ' ASP . 46.8 mmtt -130.33 137.34 49.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.639 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.3 tp -98.23 135.09 40.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.469 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -77.65 168.78 19.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.653 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -86.45 -40.74 15.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -53.44 -44.43 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -66.53 -30.08 70.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.584 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' B' ' 77' ' ' LEU . 6.0 tp -52.85 -50.07 64.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.15 -25.63 66.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.765 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -79.2 -40.99 29.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.014 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.54 -26.47 30.1 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.005 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.22 -57.42 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.365 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -68.65 -45.93 70.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 11.2 m -55.87 -46.16 78.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.773 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -73.97 -36.47 64.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.587 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' B' ' 42' ' ' SER . 79.5 mt -93.07 -103.84 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 1.4 p 81.64 33.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.62 -55.55 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -57.35 -35.86 70.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.603 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -80.24 -28.05 38.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.492 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -73.39 0.31 12.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.5 42.1 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.53 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -69.98 125.81 27.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.556 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -96.09 -48.6 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -79.31 161.88 25.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.63 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.32 -35.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.358 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 0.9 OUTLIER -68.96 -58.16 4.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.436 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.97 -31.07 66.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.521 ' O ' HG12 ' B' ' 57' ' ' VAL . 76.5 t -71.02 -22.34 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.688 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -80.23 -36.95 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.997 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -48.14 -51.42 24.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.521 HG12 ' O ' ' B' ' 54' ' ' VAL . 4.5 p -53.4 -34.76 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.89 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 58.7 mtt -73.82 -35.08 64.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -52.71 -58.86 5.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -49.82 -32.7 14.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.411 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.56 -45.16 65.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.434 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 59.4 t0 -71.65 -38.02 70.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -58.09 -32.42 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.6 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -117.43 -103.75 0.41 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.64 3.41 68.81 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -150.01 71.49 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.766 0.317 . . . . 0.0 110.485 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -173.99 176.85 46.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -106.33 175.82 5.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.768 0.318 . . . . 0.0 110.624 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.76 146.71 30.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -91.22 168.57 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.531 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.92 -38.44 78.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.469 ' O ' HG23 ' B' ' 76' ' ' VAL . 31.2 mt-30 -70.82 -47.35 59.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.769 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.419 ' CD ' ' N ' ' B' ' 73' ' ' GLU . 1.5 mp0 -70.81 -20.41 62.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.98 0.419 . . . . 0.0 110.185 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -73.3 -52.92 12.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.363 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 72' ' ' GLN . 19.8 m -58.19 -29.74 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.644 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 72' ' ' GLN . 55.0 t -63.15 -51.78 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.459 HD13 ' CD2' ' B' ' 33' ' ' LEU . 98.3 mt -57.71 -42.4 83.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.523 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 65.7 t -62.21 -31.23 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.666 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.427 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.6 -19.38 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.52 -64.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.275 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.565 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.8 -19.97 65.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.908 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.404 ' O ' ' N ' ' B' ' 86' ' ' ASN . 58.2 m -71.12 -51.97 21.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.669 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 79' ' ' ALA . 92.6 t -58.79 -36.81 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.652 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.36 -40.53 96.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.729 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 83.9 m -92.29 -6.08 51.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.701 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' B' ' 82' ' ' THR . 41.8 t30 -64.27 138.01 58.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.69 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -133.5 36.51 3.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -55.52 -41.81 73.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -142.94 -14.97 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.622 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -58.13 -9.77 1.59 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.517 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -48.8 153.54 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.533 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' B' ' 93' ' ' SER . 57.2 t30 -44.39 -34.5 2.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.548 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.413 ' O ' ' O ' ' B' ' 92' ' ' ASN . 3.2 t . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.588 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -69.48 162.12 28.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.332 . . . . 0.0 110.641 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.72 -28.34 69.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -72.61 -30.28 64.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.651 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -67.16 -52.84 36.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.675 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.43 -21.39 63.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.87 76.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.3 mmm -73.98 -31.65 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.542 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.23 -27.25 68.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.642 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.9 m -78.5 -41.1 33.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.729 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.33 -54.44 45.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 13' ' ' ASN . 17.8 tt -59.18 -39.25 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.67 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.447 ' N ' HG23 ' A' ' 12' ' ' ILE . 47.6 t30 -49.21 -37.6 23.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -80.71 -37.09 16.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.562 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -65.4 -60.53 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.529 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.07 -30.89 62.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.439 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.38 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -80.07 -37.24 34.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -66.58 -25.16 66.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.02 93.12 1.59 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -147.66 -96.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -157.96 35.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.53 -139.75 3.51 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.37 86.53 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.738 0.304 . . . . 0.0 110.603 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -69.97 -17.32 63.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.619 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -69.73 -26.45 64.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -142.07 -167.42 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 tp -140.39 149.99 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.624 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.4 p -74.84 170.28 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.619 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -88.82 -33.79 17.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -60.44 -51.58 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.786 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -64.69 -26.66 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.746 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.684 ' O ' HD23 ' A' ' 33' ' ' LEU . 1.3 tt -55.02 -38.31 67.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.566 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -77.3 -25.55 51.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.7 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -70.73 -43.47 68.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.076 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 pp -77.88 -33.3 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.027 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.72 -58.86 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.485 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.53 -49.35 66.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.7 m -55.45 -45.9 76.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.48 -43.78 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' OG ' ' A' ' 42' ' ' SER . 89.9 mt -81.19 -90.18 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.727 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 41' ' ' LEU . 7.8 p 65.49 36.75 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.535 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.1 -62.03 0.02 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -49.22 -47.95 45.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.769 0.319 . . . . 0.0 110.619 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.51 -28.33 69.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 8.3 t0 -72.03 -2.11 17.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.65 55.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.617 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -79.5 138.45 37.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -88.01 -74.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -72.87 144.94 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.557 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -107.59 -38.72 4.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.45 -43.72 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.48 92.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.2 t -66.48 -35.13 74.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.587 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -70.81 -36.15 72.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.654 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.39 -57.46 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.56 -37.14 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.8 mtt -76.1 -36.03 59.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.736 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -60.42 -41.09 93.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.63 -41.09 63.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.59 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.0 mt -76.7 -37.54 55.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -67.18 -38.21 85.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.666 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -55.01 -31.22 60.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -160.66 71.78 0.44 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.53 -34.22 88.83 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.489 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 51.2 p-10 -75.79 77.55 2.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.781 0.324 . . . . 0.0 110.639 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.5 -166.89 23.1 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -140.76 159.73 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.8 154.38 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -95.89 177.44 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -54.36 -53.72 50.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -57.72 -40.54 79.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.565 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.51 -18.45 61.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.258 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.434 ' CZ ' HG21 ' A' ' 78' ' ' VAL . 3.6 t80 -86.98 -58.93 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.464 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.528 HG23 ' N ' ' A' ' 76' ' ' VAL . 35.0 m -49.13 -44.91 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.528 ' N ' HG23 ' A' ' 75' ' ' VAL . 7.3 p -57.15 -37.04 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.795 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.3 mt -70.33 -39.91 74.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.434 HG21 ' CZ ' ' A' ' 74' ' ' TYR . 84.0 t -61.86 -30.47 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.596 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.4 30.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.66 -64.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.137 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.583 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -62.78 -19.62 64.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.811 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 79.6 m -66.65 -50.59 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.643 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.56 -37.84 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.628 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.55 -35.24 75.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.4 m -93.44 -26.21 17.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 38.4 t-20 -55.5 141.79 35.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 47.2 p-10 -142.97 43.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.565 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -62.6 -69.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.607 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -75.25 -39.84 59.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -54.13 -32.5 55.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 41.75 34.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -79.36 71.99 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.593 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.561 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 72.8 m -69.55 162.1 28.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.345 . . . . 0.0 110.638 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.79 -28.19 69.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -72.61 -30.44 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.567 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -67.08 -52.78 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.48 -21.37 63.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.698 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.31 -45.83 76.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.611 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 31.3 mmm -73.9 -31.74 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.24 -27.14 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.677 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.8 m -78.57 -41.07 32.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.37 -54.41 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.709 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.462 HG23 ' N ' ' B' ' 13' ' ' ASN . 17.8 tt -59.22 -39.28 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.685 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.462 ' N ' HG23 ' B' ' 12' ' ' ILE . 47.6 t30 -49.12 -37.66 22.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 79.3 t -80.68 -37.09 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -65.37 -60.51 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.01 -31.03 62.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.316 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.25 95.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.605 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -80.1 -37.22 34.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.612 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -66.66 -25.15 66.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.46 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.06 93.11 1.59 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -147.63 -96.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.559 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -157.97 35.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.46 -139.67 3.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.34 86.54 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -70.12 -17.23 63.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -69.79 -26.39 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -142.12 -167.46 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.532 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 tp -140.34 149.99 43.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 82.6 p -74.91 170.24 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -88.83 -33.71 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.639 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -60.42 -51.61 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -64.64 -26.71 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.716 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.674 ' O ' HD23 ' B' ' 33' ' ' LEU . 1.3 tt -54.97 -38.28 67.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.602 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -77.38 -25.56 51.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.735 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -70.66 -43.51 69.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 pp -77.87 -33.21 52.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.027 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' B' ' 37' ' ' LEU . 12.9 mt -52.73 -58.79 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.604 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.52 -49.3 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.895 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 28.1 m -55.61 -45.93 77.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.48 -43.65 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.871 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.435 ' O ' ' OG ' ' B' ' 42' ' ' SER . 90.2 mt -81.33 -90.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.656 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' B' ' 41' ' ' LEU . 7.6 p 65.38 36.87 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.25 -61.99 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -49.16 -47.96 45.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.724 0.297 . . . . 0.0 110.601 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.57 -28.28 69.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 8.4 t0 -72.09 -2.06 17.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.7 55.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.641 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -79.45 138.47 37.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.647 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -88.06 -74.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -72.98 144.92 47.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.477 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -107.57 -38.65 4.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.658 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.53 -43.63 98.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.697 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.4 92.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.56 -35.08 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.581 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -70.76 -36.22 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.691 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.28 -57.58 12.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.43 -37.21 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.664 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 46.9 mtt -76.13 -35.95 59.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.698 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -60.58 -41.0 93.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.63 -41.07 63.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 59.3 mt -76.73 -37.63 55.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.5 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -67.09 -38.21 85.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -55.03 -31.25 60.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.633 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -160.6 71.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.41 -34.37 89.15 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 51.1 p-10 -75.74 77.62 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.643 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.52 -166.94 23.2 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -140.78 159.67 41.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.79 154.41 29.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -95.89 177.4 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -54.23 -53.86 47.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -57.57 -40.63 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -72.45 -18.51 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.309 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.441 ' CZ ' HG21 ' B' ' 78' ' ' VAL . 3.5 t80 -87.11 -58.81 2.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.396 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.539 HG23 ' N ' ' B' ' 76' ' ' VAL . 35.0 m -49.2 -44.88 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.821 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.539 ' N ' HG23 ' B' ' 75' ' ' VAL . 7.3 p -57.14 -37.12 54.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.754 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.403 ' N ' HG13 ' B' ' 76' ' ' VAL . 85.5 mt -70.33 -39.87 74.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.66 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.441 HG21 ' CZ ' ' B' ' 74' ' ' TYR . 83.9 t -61.8 -30.58 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.625 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.77 -19.44 30.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.62 -64.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.575 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -62.83 -19.75 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.812 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.7 m -66.48 -50.63 62.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 110.662 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 98.4 t -63.61 -37.68 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.17 75.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.45 -26.23 17.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 38.5 t-20 -55.46 141.8 35.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.465 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 47.1 p-10 -143.0 43.91 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -62.56 -70.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.564 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -75.24 -39.8 59.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 53.5 m95 -54.16 -32.44 55.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 41.65 34.75 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.595 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -79.42 72.03 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.53 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.581 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 p -73.58 158.31 35.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.757 0.313 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -56.72 -26.7 57.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.574 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -76.04 -34.45 59.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.519 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.581 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 48.0 mt-10 -63.0 -45.52 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.711 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 t -77.92 -20.81 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.63 -36.13 64.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.4 mmm -82.61 -32.62 28.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.588 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -61.98 -22.05 65.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.513 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.0 m -76.24 -39.16 55.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.499 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.38 -46.73 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.678 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -58.94 -39.05 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.213 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.405 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 73.3 m-20 -66.2 -44.34 84.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.14 -41.46 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.27 -44.8 65.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.35 -33.35 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.19 76.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.681 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -89.33 -41.75 11.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.673 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 p -64.2 -28.52 69.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.613 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.54 -27.91 59.05 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.75 -175.99 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 110.65 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.76 132.33 51.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.596 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.47 -163.34 25.77 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' A' ' 27' ' ' LYS . 10.6 t70 -70.94 135.59 48.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -82.19 -48.05 11.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.717 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -77.34 -10.97 59.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.584 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 92.2 mttt -143.9 -173.54 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.726 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 28' ' ' LEU . 14.8 tp -134.15 140.04 46.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.399 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.3 p -66.34 173.33 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.499 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -90.42 -26.97 19.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.07 -28.81 66.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.671 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.54 -33.65 75.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.712 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 33' ' ' LEU . 4.3 mm? -53.28 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -53.96 -25.48 20.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -81.4 -56.56 3.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.171 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.33 -37.13 77.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.972 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.4 mt -47.93 -64.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 110.587 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.28 -53.58 53.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -50.21 -38.43 40.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -82.19 -48.66 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 41' ' ' LEU . 5.9 mp -85.9 -81.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.827 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.484 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 4.8 t 56.89 27.0 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.115 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.02 -46.46 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -63.49 -51.1 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.49 -24.28 67.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.894 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' A' ' 42' ' ' SER . 84.0 m-20 -68.3 -5.93 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.415 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.39 71.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -84.01 105.53 14.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.58 -42.97 99.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -105.61 133.25 50.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.3 p -91.24 -30.01 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' A' ' 53' ' ' ALA . 22.4 p-10 -73.23 -54.05 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.719 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -44.55 -49.98 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.646 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.08 -29.16 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -64.02 -36.87 85.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.17 -62.41 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.552 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 58' ' ' MET . 7.5 p -58.42 -38.85 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.54 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.434 ' N ' HG13 ' A' ' 57' ' ' VAL . 10.1 ttp -67.3 -37.33 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.632 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.68 -41.31 99.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -52.1 -38.04 56.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.492 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 65' ' ' GLY . 51.9 mt -69.7 -36.64 76.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.68 -40.3 91.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.42 -35.47 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -164.59 73.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.496 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -54.38 -34.74 54.77 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -88.99 133.53 34.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.575 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.21 -165.53 33.83 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -133.67 156.94 46.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.465 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 m -137.82 151.51 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -93.85 -172.15 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.497 ' CE2' HG11 ' A' ' 75' ' ' VAL . 49.2 t80 -63.3 -54.84 30.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.654 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -56.12 -49.55 73.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.542 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -65.12 -18.35 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.391 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -87.8 -63.48 1.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.637 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.577 HG23 ' N ' ' A' ' 76' ' ' VAL . 34.6 m -48.34 -48.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.896 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.577 ' N ' HG23 ' A' ' 75' ' ' VAL . 6.3 p -59.04 -29.21 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.479 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 77' ' ' LEU . 1.7 tt -73.2 -41.0 64.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.412 ' O ' ' OG1' ' A' ' 82' ' ' THR . 57.2 t -63.08 -27.5 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.72 -19.47 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.75 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.34 -64.68 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.552 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -62.27 -19.39 63.18 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.817 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 51.1 m -73.08 -45.43 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.745 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 79' ' ' ALA . 77.7 t -62.9 -30.99 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.88 -31.68 63.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 t -96.5 -25.12 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.533 ' ND2' ' CE1' ' A' ' 88' ' ' PHE . 7.3 t-20 -68.13 131.76 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.468 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 94.3 m-20 -149.96 44.33 0.9 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CE1' ' ND2' ' A' ' 86' ' ' ASN . 8.6 m-85 -57.8 -35.22 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.55 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -167.47 22.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.622 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -94.12 28.67 2.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.589 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -56.78 -55.6 32.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -68.69 -36.31 78.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.469 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.578 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.583 ' N ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.5 p -73.64 158.34 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.533 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -56.74 -26.71 57.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.5 tp -75.99 -34.45 59.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' B' ' 1' ' ' GLY . 47.9 mt-10 -63.02 -45.53 91.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.4 t -77.83 -20.94 52.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.52 -36.18 63.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.6 mmm -82.59 -32.7 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.502 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -62.02 -21.93 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.514 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.8 m -76.27 -39.14 55.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.457 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.5 -46.76 53.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.53 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.63 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -58.94 -39.05 76.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.216 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.41 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 73.3 m-20 -66.19 -44.37 84.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.76 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.09 -41.54 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.68 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -52.26 -44.78 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.34 -33.39 75.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.627 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.25 76.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -89.34 -41.64 12.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.719 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.6 p -64.25 -28.46 69.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.66 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.61 -27.82 59.13 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.77 -176.01 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.592 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.78 132.34 51.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.49 -163.27 25.78 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' B' ' 27' ' ' LYS . 10.6 t70 -71.03 135.63 47.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.506 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -82.2 -47.94 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.787 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -77.53 -10.87 59.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.681 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.58 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 92.2 mttt -143.96 -173.57 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.679 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -134.07 140.01 46.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.345 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 55.5 p -66.2 173.38 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.53 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -90.53 -26.82 19.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.656 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.22 -28.73 66.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.618 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.65 -33.57 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.737 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.435 HD22 ' N ' ' B' ' 33' ' ' LEU . 4.3 mm? -53.28 -61.56 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -54.07 -25.44 21.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -81.41 -56.51 4.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.143 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.24 -37.19 77.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.991 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 27.5 mt -47.93 -64.8 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.585 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -62.43 -53.51 53.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 22.2 m -50.14 -38.43 39.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -82.13 -48.76 10.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.985 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 41' ' ' LEU . 6.0 mp -85.88 -81.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.947 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.493 ' O ' ' OG ' ' B' ' 42' ' ' SER . 4.8 t 56.84 27.08 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.104 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.04 -46.37 0.08 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -63.65 -51.07 66.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.42 -24.27 67.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 42' ' ' SER . 83.9 m-20 -68.35 -5.88 21.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.496 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.41 71.48 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.469 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -83.99 105.51 14.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -61.5 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.421 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -105.64 133.29 50.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 14.4 p -91.24 -30.0 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.601 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.411 ' CG ' ' N ' ' B' ' 53' ' ' ALA . 22.4 p-10 -73.21 -54.01 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.726 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' B' ' 52' ' ' ASP . . . -44.64 -50.07 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.54 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.12 -29.09 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.47 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.97 -36.97 85.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.19 -62.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.431 HG13 ' N ' ' B' ' 58' ' ' MET . 7.5 p -58.39 -38.87 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.598 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.431 ' N ' HG13 ' B' ' 57' ' ' VAL . 10.1 ttp -67.27 -37.32 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.657 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.7 -41.35 99.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -52.11 -37.98 55.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.537 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 65' ' ' GLY . 51.8 mt -69.82 -36.58 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.519 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.66 -40.29 91.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.46 -35.35 73.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -164.72 73.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.512 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -54.43 -34.81 55.14 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -89.0 133.54 34.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.26 -165.5 33.84 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -133.67 156.95 46.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.313 . . . . 0.0 110.49 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.81 151.44 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -93.81 -172.08 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.488 ' CE2' HG11 ' B' ' 75' ' ' VAL . 49.4 t80 -63.41 -54.8 31.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.622 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.03 -49.65 73.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -64.96 -18.58 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.389 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -87.63 -63.47 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.635 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.577 HG23 ' N ' ' B' ' 76' ' ' VAL . 33.8 m -48.53 -48.6 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.943 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.577 ' N ' HG23 ' B' ' 75' ' ' VAL . 6.3 p -59.01 -29.2 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.633 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.588 ' O ' HD23 ' B' ' 77' ' ' LEU . 1.7 tt -73.2 -41.04 64.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.98 -27.63 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.59 -19.52 30.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.35 -64.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.282 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.545 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -62.25 -19.57 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 0.0 110.817 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.2 m -72.97 -45.41 58.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 79' ' ' ALA . 78.6 t -62.94 -30.94 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.627 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.99 -31.64 63.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 37.5 t -96.53 -25.02 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.53 ' ND2' ' CE1' ' B' ' 88' ' ' PHE . 7.3 t-20 -68.12 131.7 45.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' B' ' 86' ' ' ASN . 94.1 m-20 -150.01 44.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.53 ' CE1' ' ND2' ' B' ' 86' ' ' ASN . 8.5 m-85 -57.8 -35.1 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.637 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -167.55 22.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -94.17 28.78 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.553 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -56.8 -55.55 32.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -68.77 -36.38 78.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.556 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -65.77 150.5 48.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.381 . . . . 0.0 110.54 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 7.3 mp0 -67.12 -30.07 69.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.418 HD11 HD23 ' B' ' 11' ' ' LEU . 6.7 tp -60.36 -29.19 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.624 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.89 -49.01 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.408 ' H ' HG22 ' A' ' 6' ' ' THR . 4.2 t -80.46 -21.0 42.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.753 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.46 -35.7 30.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -83.63 -27.97 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 99.3 mt-10 -64.82 -27.38 68.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.728 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 m -79.42 -27.26 41.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.723 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.423 HD23 HD11 ' B' ' 4' ' ' LEU . 9.5 mt -71.45 -46.51 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.652 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.2 tt -68.94 -32.0 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.809 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 48.8 m-20 -54.81 -37.28 65.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.706 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -86.21 -23.97 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.811 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -70.15 -63.26 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.734 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.593 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 3.4 p80 -57.2 -29.48 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.593 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -59.05 -43.43 91.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -81.48 -31.7 32.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.706 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p -67.43 -21.53 65.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.699 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.29 19.13 55.09 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' A' ' 22' ' ' GLU . 83.7 tttt -149.11 125.16 10.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.66 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.481 ' O ' ' O ' ' A' ' 21' ' ' LYS . 96.8 mt-10 35.88 96.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.87 -175.05 27.39 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -67.39 -135.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 110.492 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -158.58 -47.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -72.17 -24.98 61.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.454 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -144.08 -176.91 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.51 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -128.98 142.98 50.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.7 p -68.55 166.91 16.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.66 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.494 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 49.9 mttm -89.84 -35.07 15.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.669 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -56.15 -54.43 45.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -61.6 -32.64 72.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.645 ' O ' HD23 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -57.69 -36.84 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.398 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -73.65 -25.32 60.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.51 -42.29 43.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.383 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.77 -24.08 41.75 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.245 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -54.04 -52.55 60.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -69.98 -45.62 66.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -59.99 -41.17 91.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -83.48 -50.27 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.701 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.08 96.8 7.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.5 t -123.93 -6.68 7.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.473 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.32 -15.21 59.1 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -88.55 -25.62 22.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.008 0.432 . . . . 0.0 110.131 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.446 HD23 ' N ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -87.35 -28.24 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.908 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.43 -28.39 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.555 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.39 41.13 3.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.558 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -59.87 132.64 54.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.51 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -90.95 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.455 ' O ' HG23 ' A' ' 54' ' ' VAL . 23.7 m-20 -88.51 145.02 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.577 HG13 ' N ' ' A' ' 52' ' ' ASP . 14.9 p -99.69 -45.32 11.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.677 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.577 ' N ' HG13 ' A' ' 51' ' ' VAL . 76.9 m-20 -67.46 -41.42 84.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.597 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.36 96.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.604 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 50' ' ' ASP . 91.5 t -64.04 -28.84 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.529 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -82.16 -20.1 38.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.419 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -55.59 -55.03 36.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 p -55.6 -35.35 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 47.9 mmm -62.16 -32.75 73.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.375 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -60.29 -39.21 86.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.494 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -56.95 -45.94 82.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -62.93 -38.24 90.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.631 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -58.34 -43.52 88.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.46 -37.64 85.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -94.26 -119.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.89 20.5 50.03 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 55.2 p30 -166.46 72.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.643 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.34 -168.55 37.27 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.6 mp0 -133.06 160.75 36.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.894 0.378 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.494 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 29.9 m -134.31 154.39 37.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -93.0 172.48 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -54.49 -39.53 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.525 ' O ' HG23 ' A' ' 76' ' ' VAL . 31.4 mt-30 -65.47 -44.97 85.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.14 -25.36 62.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.378 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -69.27 -53.41 19.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.382 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 72' ' ' GLN . 19.7 m -56.9 -29.81 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.649 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.9 t -61.47 -47.8 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.682 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.67 -31.59 71.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.704 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.457 ' O ' ' OG1' ' A' ' 82' ' ' THR . 54.2 t -66.67 -30.94 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.701 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.85 -19.37 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.85 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.099 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.53 -20.02 65.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.864 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 39.8 m -68.82 -46.89 67.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.7 t -68.83 -31.32 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.637 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.07 -34.14 59.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.7 t -95.28 -38.03 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.657 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.56 143.8 39.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.676 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -143.9 64.62 1.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.434 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.481 ' C ' ' H ' ' A' ' 90' ' ' TRP . 29.6 t80 -90.38 -65.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.748 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.684 ' CE2' ' NE1' ' A' ' 90' ' ' TRP . 4.9 p90 -70.34 12.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.748 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.684 ' NE1' ' CE2' ' A' ' 89' ' ' PHE . 49.8 m95 -97.59 -56.16 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.576 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -88.83 139.58 30.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.59 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 56.4 42.28 27.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.521 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.7 t . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.582 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -65.71 150.43 48.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.331 . . . . 0.0 110.585 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.523 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 7.3 mp0 -67.1 -30.07 69.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.423 HD11 HD23 ' A' ' 11' ' ' LEU . 6.7 tp -60.29 -29.21 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.674 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.83 -48.99 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.1 t -80.52 -21.04 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.716 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.34 -35.79 29.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 80.7 mmm -83.6 -28.01 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.582 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 99.3 mt-10 -64.76 -27.34 68.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.749 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.4 m -79.4 -27.24 41.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.418 HD23 HD11 ' A' ' 4' ' ' LEU . 9.5 mt -71.46 -46.63 59.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.3 tt -68.86 -32.02 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.752 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 48.4 m-20 -54.8 -37.23 65.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.75 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.9 t -86.24 -23.96 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.783 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -70.12 -63.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.755 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.602 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 3.3 p80 -57.28 -29.32 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.769 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.602 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.16 -43.51 92.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.755 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -81.45 -31.64 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.673 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.3 p -67.46 -21.58 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.629 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.23 19.1 55.2 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 22' ' ' GLU . 83.7 tttt -149.09 125.16 10.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.658 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' B' ' 21' ' ' LYS . 96.8 mt-10 35.81 96.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.788 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.83 -175.06 27.34 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -67.39 -135.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.512 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -158.62 -47.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.626 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -72.22 -24.94 61.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -144.08 -176.87 5.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.556 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tp -128.99 143.01 50.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.503 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 75.2 p -68.6 166.91 16.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.653 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.493 ' NZ ' ' CG1' ' B' ' 69' ' ' VAL . 49.9 mttm -89.83 -34.99 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -56.28 -54.33 46.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -61.59 -32.67 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.56 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.641 ' O ' HD23 ' B' ' 33' ' ' LEU . 1.0 OUTLIER -57.63 -36.85 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.487 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -73.52 -25.44 60.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.52 -42.18 44.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.416 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.86 -24.13 41.46 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.23 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 37' ' ' LEU . 9.1 mt -53.95 -52.56 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -70.05 -45.53 66.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.2 m -59.91 -41.37 91.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -83.37 -50.3 8.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.74 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.12 96.85 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.442 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.4 t -124.0 -6.65 7.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.34 -15.27 58.98 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -88.43 -25.7 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.966 0.412 . . . . 0.0 110.107 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.449 HD23 ' N ' ' B' ' 45' ' ' LEU . 0.8 OUTLIER -87.38 -28.22 22.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.904 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -63.42 -28.39 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.563 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.38 41.07 3.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.615 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -59.77 132.49 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.526 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -90.88 -62.08 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.459 ' O ' HG23 ' B' ' 54' ' ' VAL . 23.8 m-20 -88.64 145.07 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.562 HG13 ' N ' ' B' ' 52' ' ' ASP . 14.9 p -99.67 -45.41 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.562 ' N ' HG13 ' B' ' 51' ' ' VAL . 77.0 m-20 -67.42 -41.47 84.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.591 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.34 97.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.616 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 50' ' ' ASP . 91.3 t -64.1 -28.76 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.544 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -82.22 -20.12 38.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -55.49 -55.06 36.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.498 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.65 -35.32 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 47.6 mmm -62.2 -32.79 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.355 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -60.26 -39.18 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.559 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -57.02 -45.8 82.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -62.97 -38.31 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -58.3 -43.57 88.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.73 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.36 -37.65 85.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -94.37 -119.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.556 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.89 20.53 49.98 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 55.1 p30 -166.47 72.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.825 0.345 . . . . 0.0 110.607 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.3 -168.53 37.22 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -133.02 160.75 36.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.481 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.493 ' CG1' ' NZ ' ' B' ' 30' ' ' LYS . 30.0 m -134.38 154.4 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.498 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -93.04 172.54 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -54.5 -39.53 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.521 ' O ' HG23 ' B' ' 76' ' ' VAL . 31.4 mt-30 -65.48 -44.96 85.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.07 -25.41 62.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -69.27 -53.45 19.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.364 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.414 HG22 ' O ' ' B' ' 72' ' ' GLN . 19.7 m -56.82 -29.87 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.644 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.2 t -61.51 -47.76 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.654 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.71 -31.52 71.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' B' ' 82' ' ' THR . 54.2 t -66.67 -31.06 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.658 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.61 -19.57 30.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.84 -64.75 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.217 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.586 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.63 -20.03 65.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.781 0.324 . . . . 0.0 110.855 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 39.5 m -68.84 -46.86 67.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.2 t -68.89 -31.32 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.573 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.16 -34.05 59.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.637 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 51.5 t -95.35 -37.89 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.637 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.58 143.9 39.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -143.93 64.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.441 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.478 ' C ' ' H ' ' B' ' 90' ' ' TRP . 29.7 t80 -90.32 -65.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.741 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.682 ' CE2' ' NE1' ' B' ' 90' ' ' TRP . 4.9 p90 -70.21 12.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.682 ' NE1' ' CE2' ' B' ' 89' ' ' PHE . 49.6 m95 -97.65 -56.21 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.517 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -88.76 139.57 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.637 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 56.35 42.25 27.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.583 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -149.9 167.54 26.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.785 0.326 . . . . 0.0 110.579 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -59.21 -34.79 72.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.78 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.9 tm? -74.49 -48.92 24.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.269 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.488 ' OE2' ' O ' ' B' ' 41' ' ' LEU . 97.1 mt-10 -55.96 -53.03 61.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.678 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -65.02 -23.14 67.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -50.74 -52.44 40.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.637 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -68.39 -30.9 69.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.79 -29.4 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 m -76.87 -32.61 57.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.82 -53.67 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.704 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -58.79 -25.37 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.572 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 58.7 t30 -61.87 -37.3 84.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.701 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -85.46 -28.52 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.22 -63.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.539 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.3 p80 -61.39 -21.04 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.655 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -64.93 -44.14 90.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.733 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -90.39 -21.24 22.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.666 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -62.97 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.688 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.29 59.53 0.36 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -158.56 -81.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.766 0.317 . . . . 0.0 110.707 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.54 -43.55 8.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.593 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . -69.44 -168.75 6.23 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 25' ' ' LYS . 21.8 t70 -56.35 -120.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.527 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' N ' ' OD2' ' A' ' 24' ' ' ASP . 51.2 tttm -145.48 -36.1 0.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -109.14 -13.71 14.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -144.06 155.35 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -106.07 150.3 25.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.616 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -87.78 149.81 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' A' ' 68' ' ' GLU . 23.2 mtmm -68.84 -27.25 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -52.29 -38.72 59.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.27 -29.61 26.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HA ' HD21 ' A' ' 36' ' ' LEU . 56.2 tp -51.83 -36.45 48.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -78.69 -25.45 44.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.32 -46.6 15.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.072 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' A' ' 33' ' ' LEU . 3.1 pp -74.96 -25.97 59.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.975 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mt -54.32 -53.56 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' SER . 42.8 mt-30 -69.42 -47.35 64.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.5 m -57.98 -45.48 86.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -70.41 -43.01 70.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.742 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 67.4 mt -86.37 -76.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.9 m 54.09 54.21 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.54 -49.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.478 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 46.2 m-85 -60.72 -25.28 66.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -83.06 -19.54 36.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.424 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.83 9.47 6.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.611 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.507 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -166.34 74.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.582 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -96.02 130.33 43.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.542 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.55 -77.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.611 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.488 ' O ' HG23 ' A' ' 54' ' ' VAL . 67.5 m-20 -74.24 134.35 42.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.634 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 52' ' ' ASP . 9.1 p -88.83 -37.2 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.673 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.507 ' CG ' ' N ' ' A' ' 53' ' ' ALA . 16.7 p-10 -64.02 -56.15 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.657 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.507 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -53.65 -40.77 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.612 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 50' ' ' ASP . 79.5 t -69.24 -23.59 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 59' ' ' LYS . 43.9 t0 -78.55 -33.69 47.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.722 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -54.27 -64.03 0.96 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.57 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 58' ' ' MET . 5.9 p -49.04 -37.72 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.714 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.412 ' N ' HG13 ' A' ' 57' ' ' VAL . 63.7 mtt -75.07 -34.13 61.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ASP . 8.5 ttmm -57.17 -39.24 74.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -55.65 -40.94 72.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.37 -40.29 95.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.502 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.33 -41.63 80.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.604 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -67.42 -50.1 60.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.676 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -103.25 -110.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.604 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.75 18.69 56.02 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -56.72 -34.72 67.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.6 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.402 ' HA2' ' H ' ' A' ' 30' ' ' LYS . . . 96.56 60.15 1.0 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.522 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 80.8 tt0 -168.38 113.38 0.63 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.748 0.309 . . . . 0.0 110.565 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.54 147.57 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.435 ' OD1' ' CD ' ' A' ' 73' ' ' GLU . 4.8 p-10 -92.11 -170.19 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.636 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -73.71 -46.06 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -62.95 -45.14 93.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.765 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' CD ' ' OD1' ' A' ' 70' ' ' ASP . 99.4 mt-10 -71.24 -18.37 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.453 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -82.02 -53.63 5.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.583 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 76' ' ' VAL . 27.3 m -59.09 -45.1 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.998 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.497 ' N ' HG23 ' A' ' 75' ' ' VAL . 9.8 p -59.28 -37.43 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.741 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' VAL . 45.1 mt -69.52 -38.85 77.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.757 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' A' ' 82' ' ' THR . 76.2 t -63.01 -26.66 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.48 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.87 -65.02 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.23 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.01 -19.55 64.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.812 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 32.1 m -69.13 -51.24 40.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.725 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.52 -38.7 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.77 -30.04 71.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 48.5 t -109.62 17.43 21.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -89.31 132.54 34.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 4.9 p30 -118.69 60.11 0.81 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.48 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -85.03 -69.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -93.52 -20.3 20.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -57.8 -104.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.558 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -73.92 143.72 45.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.651 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -66.11 168.52 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.598 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.551 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -149.95 167.51 26.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.581 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -59.11 -34.9 72.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.777 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -74.44 -48.93 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.219 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.476 ' OE2' ' O ' ' A' ' 41' ' ' LEU . 97.1 mt-10 -55.86 -53.19 59.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.69 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -64.96 -23.19 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.778 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -50.67 -52.54 38.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.643 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.8 mmm -68.31 -30.83 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.717 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -65.89 -29.37 69.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 58.3 m -76.86 -32.61 57.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.596 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.95 -53.47 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.402 HD13 HG21 ' B' ' 12' ' ' ILE . 3.2 tt -58.87 -25.39 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.534 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 58.7 t30 -61.94 -37.26 84.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 95.3 t -85.39 -28.6 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.794 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.17 -62.96 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.889 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.535 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.2 p80 -61.42 -20.97 63.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.729 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' B' ' 13' ' ' ASN . . . -65.09 -44.11 89.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.692 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -90.35 -21.22 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -63.03 -30.33 71.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.23 59.65 0.35 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -158.68 -81.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.699 0.285 . . . . 0.0 110.685 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.63 -43.57 8.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.517 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.477 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . -69.35 -168.69 6.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.533 ' OD2' ' N ' ' B' ' 25' ' ' LYS . 21.8 t70 -56.47 -120.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.579 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.533 ' N ' ' OD2' ' B' ' 24' ' ' ASP . 51.2 tttm -145.51 -36.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -109.15 -13.78 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.539 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -143.94 155.33 44.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.705 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -106.12 150.29 25.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -87.84 149.66 24.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.496 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.496 ' NZ ' ' O ' ' B' ' 68' ' ' GLU . 23.3 mtmm -68.63 -27.33 65.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.688 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -52.31 -38.75 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.21 -29.7 26.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.419 ' HA ' HD21 ' B' ' 36' ' ' LEU . 55.9 tp -51.7 -36.54 47.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -78.65 -25.38 44.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.711 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.36 -46.52 15.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' B' ' 33' ' ' LEU . 3.1 pp -74.98 -25.98 59.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.019 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mt -54.37 -53.57 52.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.326 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' B' ' 42' ' ' SER . 42.8 mt-30 -69.42 -47.36 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.846 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 27.4 m -57.86 -45.53 86.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.46 -42.95 70.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.78 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.488 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 67.2 mt -86.29 -76.56 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.7 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.456 ' N ' ' O ' ' B' ' 38' ' ' GLN . 4.0 m 54.11 54.22 9.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.528 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.53 -49.72 0.02 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.473 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 46.2 m-85 -60.7 -25.29 66.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.734 0.302 . . . . 0.0 110.612 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.6 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -82.94 -19.6 36.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.541 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -80.81 9.38 6.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.492 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -166.29 74.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.592 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -95.93 130.36 42.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.54 -77.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.636 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.486 ' O ' HG23 ' B' ' 54' ' ' VAL . 67.5 m-20 -74.26 134.47 42.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.424 HG13 ' N ' ' B' ' 52' ' ' ASP . 9.3 p -88.95 -37.18 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.614 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.508 ' CG ' ' N ' ' B' ' 53' ' ' ALA . 16.7 p-10 -64.13 -56.1 17.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' B' ' 52' ' ' ASP . . . -53.69 -40.72 66.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 50' ' ' ASP . 79.0 t -69.33 -23.47 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -78.55 -33.78 47.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.689 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -54.31 -64.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.504 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' B' ' 58' ' ' MET . 5.8 p -49.04 -37.75 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.658 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.41 ' N ' ' CG1' ' B' ' 57' ' ' VAL . 63.7 mtt -75.1 -34.1 61.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.643 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -57.24 -39.19 75.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.61 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.63 -41.02 72.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.477 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.37 -40.32 95.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.475 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.18 -41.69 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.67 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -67.52 -49.92 61.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.724 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -103.31 -110.7 0.24 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.72 18.69 56.07 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -56.64 -34.82 67.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.66 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.64 60.15 0.99 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.496 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 80.9 tt0 -168.37 113.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.75 0.309 . . . . 0.0 110.482 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.4 147.6 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.538 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.438 ' OD1' ' CD ' ' B' ' 73' ' ' GLU . 4.9 p-10 -92.09 -170.15 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.617 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -73.81 -46.05 47.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.752 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -62.83 -45.23 93.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.782 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.438 ' CD ' ' OD1' ' B' ' 70' ' ' ASP . 99.4 mt-10 -71.19 -18.45 62.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -81.87 -53.77 5.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.498 HG23 ' N ' ' B' ' 76' ' ' VAL . 27.2 m -59.0 -45.11 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.054 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.498 ' N ' HG23 ' B' ' 75' ' ' VAL . 9.8 p -59.37 -37.26 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.766 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.421 ' N ' HG13 ' B' ' 76' ' ' VAL . 44.8 mt -69.72 -38.72 77.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.679 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.468 ' O ' ' OG1' ' B' ' 82' ' ' THR . 76.9 t -62.97 -26.82 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.589 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.66 -19.57 30.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.87 -64.82 0.82 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.322 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.578 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.07 -19.77 64.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.767 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 32.2 m -69.03 -51.34 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.685 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.38 -38.73 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.91 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 48.5 t -109.62 17.29 21.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.613 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -89.24 132.43 34.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 87' ' ' ASN . 4.9 p30 -118.66 60.16 0.81 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -85.08 -69.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -93.47 -20.31 20.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.671 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -57.85 -104.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.578 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -73.89 143.72 45.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.643 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -66.06 168.47 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.599 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -76.51 166.76 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.622 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 7' ' ' ALA . 93.3 mt-10 -57.17 -25.18 58.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -52.49 -59.77 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.453 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -48.19 -45.29 33.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.724 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.444 ' H ' HG23 ' A' ' 6' ' ' THR . 0.6 OUTLIER -78.0 -25.36 47.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 -179.671 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -51.62 -33.98 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.451 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.6 mmm -85.06 -32.32 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.547 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.66 -29.29 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 14' ' ' VAL . 32.2 m -69.55 -33.22 72.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -78.23 -52.16 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -55.46 -41.71 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.149 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 49.3 m-20 -60.91 -45.37 94.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.531 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 10' ' ' THR . 78.7 t -66.87 -37.09 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.468 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 18.3 t80 -53.14 -45.23 68.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.509 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -72.78 -22.11 60.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.519 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -65.91 -34.44 78.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.72 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -90.51 -33.16 16.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.64 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.8 p -61.93 -36.56 81.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.687 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.07 -36.04 84.95 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -59.32 -61.35 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -149.85 168.49 23.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.605 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.69 -171.14 52.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 27' ' ' LYS . 94.9 m-20 -67.1 146.63 54.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 110.499 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.51 -71.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.683 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -64.95 -44.71 88.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.614 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.487 ' O ' ' O ' ' A' ' 24' ' ' ASP . 51.1 mmtt -94.56 166.35 12.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.76 135.04 29.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.375 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.7 p -72.95 165.72 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -88.69 -1.58 58.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.627 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -79.15 -43.89 23.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -60.45 -25.93 66.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 33' ' ' LEU . 4.2 mm? -54.85 -57.65 10.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -55.61 -25.41 38.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.27 -52.21 7.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.288 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 40' ' ' GLU . 3.0 pp -74.05 -33.13 63.59 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.269 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mt -50.76 -44.44 58.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.411 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -74.3 -39.02 63.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.0 m -70.6 -25.12 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.778 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' LEU . 77.1 mm-40 -98.83 -50.38 4.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.6 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.513 ' O ' HD21 ' A' ' 45' ' ' LEU . 49.0 mt -107.05 106.84 17.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.0 t -131.08 34.49 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.448 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.78 -45.11 0.13 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -59.08 -38.0 78.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.434 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.581 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.51 -3.04 31.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.395 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -87.9 -7.53 57.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.525 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.08 62.72 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -78.69 111.03 14.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -95.31 -51.12 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -73.08 -176.57 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.57 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -140.41 -53.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.321 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -52.43 -46.1 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.568 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.89 86.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.69 -26.08 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.573 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 51' ' ' VAL . 56.5 t0 -82.91 -36.08 25.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.651 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -57.2 -57.45 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.734 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 58' ' ' MET . 8.0 p -52.56 -36.5 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.633 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.416 ' N ' HG13 ' A' ' 57' ' ' VAL . 65.1 mtt -70.56 -42.32 71.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -59.8 -26.22 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.686 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -50.68 -37.49 41.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 61' ' ' LEU . 9.5 mp -65.63 -41.68 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -68.64 -39.2 80.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.677 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.83 -90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -63.47 -81.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.39 12.61 84.39 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -165.13 9.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 0.0 110.619 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.59 -177.81 51.79 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -142.47 166.38 24.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 110.604 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.82 150.42 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.447 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 70' ' ' ASP . 5.6 p-10 -98.98 -56.63 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.592 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -167.64 -41.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 76' ' ' VAL . 38.1 mt-30 -68.07 -51.26 48.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.794 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.475 ' OE1' ' OD1' ' A' ' 70' ' ' ASP . 55.3 mp0 -67.82 -18.85 64.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.404 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -74.49 -49.74 20.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.455 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 72' ' ' GLN . 18.8 m -64.42 -25.98 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.737 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 72' ' ' GLN . 56.0 t -58.88 -47.51 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.83 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 8.1 mp -62.74 -56.24 19.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.5 t -46.01 -39.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.5 -19.22 39.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -65.11 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.458 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.57 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -68.65 -19.98 64.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.657 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 86' ' ' ASN . 74.3 m -70.36 -61.81 1.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.935 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 p -56.88 -24.24 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.684 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.06 83.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 2.8 m -127.61 17.25 6.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.928 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 82' ' ' THR . 25.2 t-20 -66.4 -49.78 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.487 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 90' ' ' TRP . 48.2 t-20 41.2 61.23 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.625 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -72.51 -39.01 67.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.502 ' O ' ' N ' ' A' ' 91' ' ' GLU . 77.9 t80 -130.81 -21.8 2.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.681 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.459 ' O ' ' O ' ' A' ' 91' ' ' GLU . 51.9 m95 -48.43 89.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.576 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 89' ' ' PHE . 89.4 mt-10 55.97 115.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.9 -43.88 86.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.575 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -76.44 166.81 22.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 110.535 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' B' ' 7' ' ' ALA . 93.3 mt-10 -57.15 -25.15 58.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.489 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.496 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -52.57 -59.85 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.434 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -48.06 -45.4 32.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.727 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.444 ' H ' HG23 ' B' ' 6' ' ' THR . 0.6 OUTLIER -77.96 -25.23 48.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.759 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' B' ' 3' ' ' GLU . . . -51.74 -33.99 37.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 61.5 mmm -85.03 -32.3 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.595 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.59 -29.4 70.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.633 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.504 ' O ' HG23 ' B' ' 14' ' ' VAL . 32.3 m -69.51 -33.33 72.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.403 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.2 mt -78.14 -52.26 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.641 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -55.44 -41.63 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.226 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.436 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 5.2 m120 -60.97 -45.36 95.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.441 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 10' ' ' THR . 78.3 t -66.92 -37.19 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.479 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' B' ' 15' ' ' PHE . 18.5 t80 -53.14 -45.12 68.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -72.81 -22.08 60.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -65.91 -34.51 78.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.693 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -90.42 -33.13 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.723 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.7 p -61.92 -36.62 81.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.666 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.07 -35.99 84.85 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -59.42 -61.19 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -150.04 168.57 23.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.46 -171.09 52.81 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.6 m-20 -67.02 146.63 54.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.553 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.51 -71.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.696 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -64.97 -44.71 88.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' B' ' 24' ' ' ASP . 51.1 mmtt -94.5 166.23 12.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.63 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.74 134.99 29.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.8 p -72.82 165.67 24.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -88.66 -1.62 58.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.667 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -79.08 -44.04 22.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.547 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -60.37 -25.93 66.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.418 HD22 ' N ' ' B' ' 33' ' ' LEU . 4.2 mm? -54.87 -57.72 10.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.388 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -55.51 -25.55 37.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.993 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -81.15 -52.24 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.357 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 40' ' ' GLU . 3.0 pp -74.04 -33.03 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.275 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mt -50.88 -44.48 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.369 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -74.24 -39.07 63.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.665 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 24.0 m -70.54 -25.13 62.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.749 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' B' ' 36' ' ' LEU . 77.1 mm-40 -98.93 -50.36 4.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.596 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.502 ' O ' HD21 ' B' ' 45' ' ' LEU . 48.9 mt -107.0 106.83 17.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.54 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.2 t -131.09 34.53 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.509 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.74 -45.18 0.13 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.12 -37.89 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.478 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.582 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -75.59 -3.01 31.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.36 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -87.91 -7.43 57.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.12 62.64 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.481 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -78.69 110.96 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.56 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -95.26 -51.18 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -73.04 -176.57 2.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.573 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' B' ' 55' ' ' ASP . 0.4 OUTLIER -140.44 -53.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.287 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -52.53 -46.06 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.566 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.02 -41.79 86.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.62 -26.15 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' B' ' 51' ' ' VAL . 56.5 t0 -82.87 -36.17 25.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -57.18 -57.43 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.411 HG13 ' N ' ' B' ' 58' ' ' MET . 8.0 p -52.54 -36.65 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.517 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.411 ' N ' HG13 ' B' ' 57' ' ' VAL . 65.0 mtt -70.48 -42.25 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.68 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.83 -26.25 65.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -50.59 -37.53 40.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.585 HD12 ' N ' ' B' ' 61' ' ' LEU . 9.5 mp -65.53 -41.77 92.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.645 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -68.58 -39.27 81.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.694 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.82 -90.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -63.47 -81.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.592 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.5 12.47 84.5 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -165.08 9.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.547 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.63 -177.82 51.77 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -142.43 166.36 24.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.56 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.83 150.4 28.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.513 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 70' ' ' ASP . 5.6 p-10 -98.89 -56.67 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -167.67 -41.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.525 ' O ' HG23 ' B' ' 76' ' ' VAL . 38.0 mt-30 -68.13 -51.26 48.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.775 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.467 ' OE1' ' OD1' ' B' ' 70' ' ' ASP . 55.3 mp0 -67.76 -18.91 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.989 0.424 . . . . 0.0 110.382 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -74.41 -49.72 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.451 HG22 ' O ' ' B' ' 72' ' ' GLN . 18.9 m -64.45 -25.85 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.77 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 72' ' ' GLN . 56.0 t -58.99 -47.48 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.452 HD12 ' N ' ' B' ' 77' ' ' LEU . 8.0 mp -62.77 -56.27 19.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.551 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.5 t -46.04 -39.86 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.751 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.49 -19.36 38.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -65.05 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.564 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.571 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -68.7 -20.0 64.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.661 -179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.465 ' O ' ' N ' ' B' ' 86' ' ' ASN . 75.5 m -70.35 -61.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.982 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 p -57.01 -24.31 20.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.652 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.13 83.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.798 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 2.9 m -127.55 17.25 6.98 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 82' ' ' THR . 25.4 t-20 -66.24 -49.96 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.509 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 90' ' ' TRP . 48.3 t-20 41.24 61.22 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.575 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -72.46 -38.93 68.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.665 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' B' ' 91' ' ' GLU . 77.9 t80 -130.86 -21.79 2.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.692 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.454 ' O ' ' O ' ' B' ' 91' ' ' GLU . 51.7 m95 -48.54 89.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.511 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' B' ' 89' ' ' PHE . 89.4 mt-10 56.0 115.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.662 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -58.05 -43.76 87.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.518 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -71.88 161.47 30.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.518 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.84 -21.64 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 46.9 tp -79.31 -31.02 43.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.706 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' B' ' 41' ' ' LEU . 81.9 mt-10 -65.4 -51.9 57.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -65.84 -20.72 66.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.585 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -55.98 -54.21 47.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mmt -64.74 -33.9 77.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.622 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.44 -31.38 70.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.1 m -78.35 -37.37 44.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.75 -45.91 87.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 tt -73.34 -22.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.43 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 56.4 t30 -57.33 -42.18 81.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.736 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.451 ' H ' HG22 ' A' ' 14' ' ' VAL . 9.0 m -81.97 -34.54 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -56.61 -62.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.856 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 4.7 p80 -56.64 -31.4 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.523 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.619 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -64.37 -49.93 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.643 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -70.18 -45.91 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 m -59.14 -30.27 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.95 -25.47 23.83 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 22' ' ' GLU . 22.2 mtpp -64.83 170.55 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.615 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 21' ' ' LYS . 14.3 pt-20 -38.47 159.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.596 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.63 -171.41 37.91 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -71.32 118.51 14.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.508 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -72.48 -20.55 61.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -70.79 -45.57 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.612 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -110.94 163.0 14.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.67 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -129.41 138.27 51.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.38 174.64 3.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -99.56 -30.6 12.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -58.34 -45.71 87.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.671 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.82 -29.97 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.674 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.45 -46.07 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.691 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.41 -25.55 68.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -77.74 -51.69 10.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.975 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 pp -71.27 -25.8 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.008 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.97 -39.86 91.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.469 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.49 -27.37 41.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.8 m -87.57 -27.14 22.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.877 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -81.88 -50.17 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.582 ' N ' HD12 ' A' ' 41' ' ' LEU . 9.9 mp -81.38 -63.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.891 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.454 ' O ' ' OG ' ' A' ' 42' ' ' SER . 8.8 t 43.37 31.84 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.448 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . -145.1 -62.89 0.02 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.545 ' C ' ' H ' ' A' ' 46' ' ' ASP . 24.3 m-85 -49.53 -46.18 48.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.648 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 45' ' ' LEU . 1.6 pp -58.13 0.37 0.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.652 ' N ' HD12 ' A' ' 45' ' ' LEU . 16.4 t70 -87.69 3.43 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.66 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.32 76.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.658 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.93 89.27 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.438 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -84.92 -68.56 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.649 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.407 ' O ' HG23 ' A' ' 54' ' ' VAL . 79.4 m-20 -56.29 127.53 31.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 52' ' ' ASP . 9.4 p -94.18 -40.67 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' N ' HG13 ' A' ' 51' ' ' VAL . 95.5 m-20 -57.95 -44.92 87.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.604 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.15 -41.35 86.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 50' ' ' ASP . 79.7 t -68.98 -26.02 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.653 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -76.7 -38.44 54.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -61.9 -57.78 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 58' ' ' MET . 8.7 p -57.39 -39.53 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.514 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.466 ' N ' HG13 ' A' ' 57' ' ' VAL . 70.4 mmm -71.5 -39.49 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.455 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -63.5 -49.28 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -45.76 -27.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.236 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.08 -41.95 76.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.513 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -72.13 -34.74 68.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.727 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.01 -28.48 69.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.722 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.502 ' C ' ' H ' ' A' ' 66' ' ' ASP . 23.9 m-80 -145.97 51.76 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.64 7.05 1.11 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 64' ' ' ASN . 52.5 t0 -149.72 84.44 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.583 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.07 -152.09 7.8 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -144.91 167.47 22.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.792 0.33 . . . . 0.0 110.536 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -141.05 155.15 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -97.18 -167.44 1.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.85 -51.68 60.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.652 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.92 -40.14 92.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.696 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.16 -18.24 60.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.387 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -84.15 -46.52 11.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.682 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 76' ' ' VAL . 31.4 m -69.03 -41.04 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.27 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.478 ' N ' HG23 ' A' ' 75' ' ' VAL . 9.8 p -56.97 -40.86 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.863 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.473 ' N ' HG13 ' A' ' 76' ' ' VAL . 72.5 mt -59.98 -44.71 94.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.642 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.1 t -67.52 -34.49 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.576 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.01 -26.3 68.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.02 -64.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -50.18 -21.89 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.812 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.806 ' N ' HD23 ' A' ' 81' ' ' LEU . 19.3 m -78.15 -57.89 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.628 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.7 t -56.7 -24.43 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.802 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.81 -49.3 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.1 m -97.59 -5.09 36.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.87 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' THR . 23.3 t-20 -51.91 -44.98 64.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.55 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.626 ' ND2' ' O ' ' A' ' 90' ' ' TRP . 0.3 OUTLIER 51.36 52.94 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.495 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -75.14 -71.36 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 91' ' ' GLU . 79.3 t80 -92.26 -37.47 12.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.756 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.626 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 13.0 m95 -58.14 81.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 89' ' ' PHE . 83.9 tt0 -97.28 107.67 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.547 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -62.21 -36.04 80.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.559 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.537 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -72.02 161.45 30.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.592 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -59.64 -21.7 60.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.706 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 46.8 tp -79.32 -30.95 43.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.483 ' OE2' ' O ' ' A' ' 41' ' ' LEU . 82.0 mt-10 -65.53 -51.8 57.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.563 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.6 t -65.88 -20.82 66.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -55.92 -54.26 46.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mmt -64.7 -33.89 77.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.609 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.61 -31.32 70.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.8 m -78.29 -37.36 45.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.75 -45.86 87.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.708 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 tt -73.38 -22.07 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.712 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.428 ' O ' ' NE2' ' B' ' 16' ' ' HIS . 56.4 t30 -57.34 -42.18 81.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.41 HG22 ' H ' ' B' ' 14' ' ' VAL . 9.2 m -82.0 -34.51 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.839 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -56.56 -63.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.792 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.637 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 4.7 p80 -56.52 -31.41 64.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.56 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.637 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -64.51 -49.89 69.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -70.24 -45.81 65.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.9 m -59.26 -30.17 68.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.99 -25.43 23.98 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' B' ' 22' ' ' GLU . 22.2 mtpp -64.85 170.7 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.629 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' B' ' 21' ' ' LYS . 14.3 pt-20 -38.65 159.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.627 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.75 -171.39 37.69 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -71.44 118.45 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.477 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -72.42 -20.59 61.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.683 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -70.71 -45.63 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -111.0 163.04 14.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tp -129.4 138.16 51.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.31 174.7 3.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.624 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -99.6 -30.61 12.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.581 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.446 ' HZ2' ' HA ' ' B' ' 66' ' ' ASP . 63.5 mttp -58.45 -45.63 88.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -66.84 -29.98 70.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.602 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.56 -45.99 77.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.662 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.45 -25.54 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -77.73 -51.69 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 40' ' ' GLU . 2.8 pp -71.29 -25.83 62.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.979 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.97 -39.83 91.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.46 -27.45 41.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 25.3 m -87.35 -27.29 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.951 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 36' ' ' LEU . 67.6 mm-40 -81.86 -50.17 9.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 41' ' ' LEU . 9.9 mp -81.39 -63.48 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.847 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.471 ' O ' ' OG ' ' B' ' 42' ' ' SER . 8.7 t 43.31 31.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.443 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' B' ' 46' ' ' ASP . . . -145.11 -62.9 0.02 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.522 ' C ' ' H ' ' B' ' 46' ' ' ASP . 24.3 m-85 -49.51 -46.18 48.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.772 0.32 . . . . 0.0 110.56 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.667 ' C ' HD12 ' B' ' 45' ' ' LEU . 1.6 pp -58.15 0.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.661 ' N ' HD12 ' B' ' 45' ' ' LEU . 16.3 t70 -87.66 3.52 47.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.712 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.38 76.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.68 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.9 89.18 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -84.84 -68.61 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.632 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -56.42 127.6 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.497 HG13 ' N ' ' B' ' 52' ' ' ASP . 9.2 p -94.19 -40.66 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.497 ' N ' HG13 ' B' ' 51' ' ' VAL . 95.5 m-20 -57.89 -44.92 87.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.622 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.31 86.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 79.6 t -69.1 -25.91 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -76.68 -38.59 54.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.531 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -61.84 -57.81 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.749 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.459 HG13 ' N ' ' B' ' 58' ' ' MET . 8.5 p -57.31 -39.59 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.536 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.459 ' N ' HG13 ' B' ' 57' ' ' VAL . 70.5 mmm -71.51 -39.48 70.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.483 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -63.45 -49.29 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -45.84 -26.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.202 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.06 -42.0 76.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.519 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -72.11 -34.75 68.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.01 -28.55 69.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.659 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.507 ' C ' ' H ' ' B' ' 66' ' ' ASP . 23.9 m-80 -145.91 51.78 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 7.1 1.12 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' B' ' 64' ' ' ASN . 52.4 t0 -149.76 84.46 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.557 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.03 -152.1 7.79 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -144.9 167.46 22.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.56 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -141.07 155.2 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -97.23 -167.46 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.495 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.79 -51.73 60.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.86 -40.28 92.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.661 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.01 -18.45 60.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.354 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -83.99 -46.52 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.759 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.47 HG23 ' N ' ' B' ' 76' ' ' VAL . 31.3 m -69.03 -41.12 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.143 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.47 ' N ' HG23 ' B' ' 75' ' ' VAL . 9.8 p -56.93 -40.94 75.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 110.855 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.469 ' N ' HG13 ' B' ' 76' ' ' VAL . 72.5 mt -59.79 -44.75 93.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.688 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.56 -34.41 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.685 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.99 -26.33 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.98 -64.45 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.367 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.788 HD23 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -50.26 -21.87 1.54 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.846 179.698 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.788 ' N ' HD23 ' B' ' 81' ' ' LEU . 19.5 m -78.06 -57.93 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 66.0 t -56.7 -24.5 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.79 -49.33 62.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.3 m -97.48 -5.24 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.924 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 82' ' ' THR . 23.2 t-20 -51.92 -44.83 64.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.585 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.637 ' ND2' ' O ' ' B' ' 90' ' ' TRP . 0.3 OUTLIER 51.15 53.01 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -75.12 -71.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' B' ' 91' ' ' GLU . 79.5 t80 -92.33 -37.33 12.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.73 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.637 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 13.0 m95 -58.26 81.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.702 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' B' ' 89' ' ' PHE . 83.9 tt0 -97.42 107.64 20.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.516 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -62.21 -35.99 80.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.634 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.521 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -81.95 153.11 26.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 0.0 110.598 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.24 -26.51 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -66.18 -28.96 69.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.505 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -67.77 -59.11 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.731 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -64.91 -29.17 70.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.99 -48.96 21.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -34.51 78.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.399 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -66.14 -24.5 66.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.494 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.6 m -76.31 -33.45 59.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.05 -51.65 30.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.802 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 tt -62.61 -26.88 41.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.701 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -57.01 -39.3 74.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.738 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 71.9 t -83.73 -32.11 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.51 -62.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.701 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.538 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.6 p80 -58.55 -20.91 50.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -67.27 -45.44 76.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.706 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -90.15 -16.29 29.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.734 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 p -61.67 -28.25 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.599 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.68 -120.55 0.1 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 59.01 -121.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.704 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -76.98 45.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.648 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.75 -150.14 32.41 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 57.33 47.78 16.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.487 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -73.07 -11.16 60.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -92.61 -55.04 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.646 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -107.29 170.85 7.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.631 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -137.82 135.83 36.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.448 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -76.43 156.53 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.648 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -79.63 -30.27 41.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.709 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -56.18 -22.97 32.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -85.03 -35.86 21.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.743 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD21 ' CD1' ' A' ' 74' ' ' TYR . 6.8 mt -54.12 -55.95 22.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.507 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -55.47 -25.37 36.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.661 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.31 -54.16 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.79 -25.75 63.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.099 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' LEU . 10.6 mt -57.38 -44.11 84.16 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.314 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -75.21 -46.21 35.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.9 m -64.84 -37.96 89.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.078 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -92.48 -50.37 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.867 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 tp -98.88 99.5 10.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.335 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -133.26 55.24 1.91 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.26 -36.25 0.2 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' C ' ' H ' ' A' ' 46' ' ' ASP . 77.1 m-85 -83.4 -43.49 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.736 0.303 . . . . 0.0 110.523 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.657 HD12 ' C ' ' A' ' 45' ' ' LEU . 1.6 pp -59.61 0.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.492 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.65 ' N ' HD12 ' A' ' 45' ' ' LEU . 9.0 t70 -93.8 4.14 54.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.43 65.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.585 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -86.47 80.91 8.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.564 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.05 -40.87 71.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.612 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -83.19 137.13 34.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.547 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.6 -54.91 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.416 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -52.53 -44.47 65.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.73 99.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.83 -22.29 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.695 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.8 -34.96 64.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -59.73 -54.09 50.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.694 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.1 p -59.06 -39.31 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.753 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 58' ' ' MET . 11.3 tmm? -71.14 -40.44 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -61.39 -38.36 86.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.16 -35.82 27.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 65' ' ' GLY . 57.6 mt -63.23 -39.65 95.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.481 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.63 -39.99 95.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.52 -38.0 89.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -167.79 76.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.618 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -67.76 -32.69 78.49 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -91.44 12.66 19.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.333 . . . . 0.0 110.589 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.66 153.05 41.87 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -98.0 156.62 16.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.473 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.1 150.41 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.603 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -96.35 -172.79 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.416 ' O ' HG22 ' A' ' 75' ' ' VAL . 51.7 t80 -60.04 -56.5 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -57.37 -44.67 84.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -67.9 -18.39 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.365 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.42 ' CD1' HD21 ' A' ' 33' ' ' LEU . 5.1 t80 -87.28 -64.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 76' ' ' VAL . 28.3 m -43.92 -43.8 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 77' ' ' LEU . 8.8 p -58.56 -41.8 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.896 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.497 ' N ' HG13 ' A' ' 76' ' ' VAL . 16.6 mt -62.66 -47.89 81.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.511 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.402 ' O ' ' OG1' ' A' ' 82' ' ' THR . 53.0 t -52.41 -27.53 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.39 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.62 -19.38 31.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.62 -64.63 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -64.5 -19.56 65.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.154 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 96.6 m -68.76 -53.84 19.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.677 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 82.4 t -61.13 -24.41 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.73 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.46 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' ASN . 2.7 m -94.49 -26.34 16.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.859 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' CYS . 4.0 t-20 -36.37 -55.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.708 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' ASN . 22.4 t-20 39.76 44.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.583 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -76.17 -61.29 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.707 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -78.43 -32.29 48.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -66.36 98.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 92' ' ' ASN . 95.6 mt-10 -94.4 0.45 55.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.411 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.431 ' O ' ' O ' ' A' ' 91' ' ' GLU . 78.3 m-20 46.59 -174.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.561 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.474 -179.9 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.702 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -81.9 153.08 26.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.17 -26.62 68.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.578 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.5 tp -66.09 -28.94 69.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -67.83 -59.09 3.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.736 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -64.95 -29.16 70.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.642 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.93 -48.95 21.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.491 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -34.49 77.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -66.18 -24.42 66.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 43.9 m -76.32 -33.43 59.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.662 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 mt -70.07 -51.65 30.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.752 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -62.62 -26.95 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.666 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -56.9 -39.27 74.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.433 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 71.8 t -83.83 -32.12 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.786 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -60.57 -62.51 1.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.672 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.538 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.5 p80 -58.55 -20.84 49.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.741 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -67.36 -45.35 76.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -90.21 -16.31 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.718 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.8 p -61.67 -28.27 69.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.635 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.59 -120.52 0.1 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 59.0 -121.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.737 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -76.98 45.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.77 -150.14 32.37 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 57.28 47.76 16.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.511 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -73.06 -11.13 60.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -92.59 -55.04 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.689 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -107.27 170.87 7.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.668 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tp -137.83 135.92 36.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.414 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 89.2 p -76.54 156.53 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -79.69 -30.16 40.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.687 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -56.26 -22.99 33.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.537 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -85.01 -35.87 21.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.745 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' B' ' 74' ' ' TYR . 6.8 mt -54.18 -55.92 23.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.526 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -55.33 -25.46 34.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.741 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.27 -54.27 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.72 -25.71 63.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.074 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' B' ' 41' ' ' LEU . 10.6 mt -57.48 -44.06 84.6 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.261 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -75.14 -46.32 35.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.0 m -64.8 -38.04 89.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.952 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -92.47 -50.35 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.858 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' B' ' 37' ' ' LEU . 1.7 tp -98.86 99.36 10.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.395 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -133.27 55.43 1.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.488 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.31 -36.26 0.2 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.522 ' C ' ' H ' ' B' ' 46' ' ' ASP . 77.2 m-85 -83.44 -43.51 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.682 0.277 . . . . 0.0 110.422 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.675 ' C ' HD12 ' B' ' 45' ' ' LEU . 1.6 pp -59.73 0.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.501 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.653 ' N ' HD12 ' B' ' 45' ' ' LEU . 8.9 t70 -93.76 4.13 54.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.49 65.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -86.47 80.99 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.56 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.12 -40.92 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -83.2 137.09 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.641 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -54.83 6.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -52.58 -44.4 65.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.658 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.79 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.81 -22.38 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.645 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.72 -35.01 65.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.661 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -59.67 -54.03 51.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.825 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.09 -39.23 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.693 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.421 ' C ' ' SD ' ' B' ' 58' ' ' MET . 11.4 tmm? -71.29 -40.3 70.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.656 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -61.52 -38.31 86.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.21 -35.81 28.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' B' ' 65' ' ' GLY . 57.5 mt -63.11 -39.76 95.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -62.46 -40.08 95.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -64.51 -37.99 89.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.624 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -167.84 76.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.623 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -67.7 -32.67 78.7 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -91.46 12.73 19.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.312 . . . . 0.0 110.577 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.7 152.97 41.68 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -97.94 156.55 16.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.778 0.323 . . . . 0.0 110.496 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.14 150.42 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.402 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 78.0 m-20 -96.31 -172.81 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.456 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.413 ' O ' HG22 ' B' ' 75' ' ' VAL . 51.4 t80 -60.08 -56.47 21.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -57.33 -44.72 84.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.345 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.402 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 48.7 mt-10 -67.8 -18.55 64.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.355 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.414 ' CD1' HD21 ' B' ' 33' ' ' LEU . 5.2 t80 -87.1 -64.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.556 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.492 HG23 ' N ' ' B' ' 76' ' ' VAL . 28.6 m -44.04 -43.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.014 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.511 HG13 ' N ' ' B' ' 77' ' ' LEU . 8.7 p -58.51 -41.83 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.823 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.511 ' N ' HG13 ' B' ' 76' ' ' VAL . 16.6 mt -62.71 -47.84 81.83 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.578 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.445 ' O ' ' OG1' ' B' ' 82' ' ' THR . 52.9 t -52.33 -27.63 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.385 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.59 -19.41 31.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.786 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.7 -64.56 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.197 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.567 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -64.42 -19.86 65.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.165 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 96.5 m -68.56 -53.78 20.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.746 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.21 -24.42 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.691 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.58 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' B' ' 86' ' ' ASN . 2.7 m -94.33 -26.34 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.914 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' B' ' 85' ' ' CYS . 4.0 t-20 -36.46 -55.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.686 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 39.73 44.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.521 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -76.24 -61.3 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.623 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -78.32 -32.41 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.67 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -66.34 98.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.664 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' B' ' 92' ' ' ASN . 95.7 mt-10 -94.22 0.3 55.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.485 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.431 ' O ' ' O ' ' B' ' 91' ' ' GLU . 78.3 m-20 46.7 -174.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.542 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.613 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -70.73 155.1 41.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.59 -24.82 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.687 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.9 tp -71.61 -32.05 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.39 -46.67 87.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.672 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.0 t -81.78 -20.99 38.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.599 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.99 -47.64 74.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.673 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.2 mmm -71.84 -29.73 64.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.683 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 75.5 mm-40 -65.22 -22.25 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.626 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 14' ' ' VAL . 23.0 m -78.09 -45.74 22.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.06 -39.52 86.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.795 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.647 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.59 -37.25 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.327 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 23.5 m-20 -64.06 -60.84 2.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 10' ' ' THR . 28.1 m -54.63 -30.37 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.752 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -61.66 -44.77 96.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -73.35 -31.31 63.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.57 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.43 -29.82 68.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.5 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -94.16 -56.04 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 10.6 t -61.51 -28.48 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.509 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.95 -19.09 0.49 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' SER . 20.8 ptmt -67.01 -167.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -65.86 -172.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.529 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.87 -159.07 51.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 27' ' ' LYS . 58.5 m-20 -69.06 104.04 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.329 . . . . 0.0 110.594 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' O ' ' OG ' ' A' ' 19' ' ' SER . 30.2 mtmm -71.83 -29.2 64.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -71.73 -32.98 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.752 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 40.1 mmtm -115.06 143.01 45.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.699 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.6 tp -98.31 140.02 33.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.39 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.6 p -79.37 165.85 22.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -89.2 -17.56 28.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.651 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -63.09 -59.63 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.53 ' NE2' ' OE1' ' A' ' 35' ' ' GLU . 23.4 mm100 -64.19 -31.83 73.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' HA ' HD21 ' A' ' 36' ' ' LEU . 44.6 tp -48.71 -45.12 38.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -70.01 -25.4 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.53 ' OE1' ' NE2' ' A' ' 32' ' ' GLN . 83.2 tt0 -80.79 -57.35 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.453 HD21 ' HA ' ' A' ' 33' ' ' LEU . 3.1 pp -62.16 -31.17 71.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.074 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.62 -48.75 66.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.0 mm100 -73.34 -50.34 22.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.872 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.7 m -55.88 -41.42 74.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.696 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -79.0 -10.5 59.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.673 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 mt -129.19 -82.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.661 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' GLN . 25.8 t 56.84 49.49 14.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.98 -47.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -58.74 -26.37 63.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.724 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.596 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -78.84 -12.35 60.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.652 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 58.1 t0 -87.57 7.45 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.693 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.0 63.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.482 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -94.93 112.81 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.686 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -93.95 -65.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 79.2 m-20 -61.11 154.79 22.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.503 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.36 -58.01 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.453 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 15.1 p-10 -50.54 -47.68 57.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.632 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.72 89.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 50' ' ' ASP . 75.1 t -66.73 -28.03 41.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -83.04 -20.12 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.326 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -57.29 -54.03 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.586 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 58' ' ' MET . 13.4 p -62.84 -38.94 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.574 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.465 ' N ' HG13 ' A' ' 57' ' ' VAL . 31.1 tpp -63.93 -34.77 78.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -58.61 -43.04 89.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.87 -40.25 75.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.39 -42.83 87.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.34 -33.15 72.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -48.53 -33.83 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.423 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 1.7 p30 -161.68 -62.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.649 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.423 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . 85.17 11.78 75.13 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.44 18.28 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.26 -160.9 34.78 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -135.69 159.22 42.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.349 . . . . 0.0 110.453 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.08 147.47 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.499 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -89.69 -157.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.561 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -87.32 -56.13 3.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.698 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.431 ' O ' HG23 ' A' ' 76' ' ' VAL . 33.4 mt-30 -58.11 -44.27 87.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.75 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.571 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 40.5 mp0 -71.07 -27.26 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.318 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -68.55 -56.96 6.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.387 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.5 m -51.91 -31.02 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.584 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.49 ' CG2' ' CG2' ' B' ' 76' ' ' VAL . 47.6 t -64.18 -43.09 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.404 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.2 mt -65.72 -40.41 92.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.408 ' O ' HD21 ' A' ' 81' ' ' LEU . 71.0 t -63.26 -29.06 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.683 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.0 -19.4 30.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.773 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.7 -64.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.593 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -60.54 -19.76 58.21 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.911 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.5 m -73.2 -50.52 22.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.685 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.17 -38.65 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.24 -38.13 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.618 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 m -91.9 -33.4 14.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.553 ' ND2' ' CD1' ' A' ' 88' ' ' PHE . 13.9 t-20 -44.74 140.43 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.486 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -150.27 50.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.625 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.553 ' CD1' ' ND2' ' A' ' 86' ' ' ASN . 9.2 m-85 -72.87 -39.36 66.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.593 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -115.74 -31.11 5.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.771 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -56.04 -29.14 59.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.516 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 92' ' ' ASN . 25.3 tt0 45.07 -98.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.489 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 91' ' ' GLU . 78.4 m-20 -162.01 45.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.623 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.609 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.8 m -70.79 155.21 41.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.772 0.32 . . . . 0.0 110.572 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.65 -24.82 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 45.8 tp -71.62 -32.05 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.73 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.38 -46.6 87.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.747 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -81.78 -20.92 38.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.666 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.65 74.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.666 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.2 mmm -71.81 -29.85 64.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.623 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 75.4 mm-40 -65.24 -22.12 66.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.517 ' O ' HG22 ' B' ' 14' ' ' VAL . 23.0 m -78.2 -45.73 22.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.7 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.9 mt -67.04 -39.57 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.748 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.647 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.3 OUTLIER -68.58 -37.31 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.356 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 23.4 m-20 -63.9 -60.81 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.517 HG22 ' O ' ' B' ' 10' ' ' THR . 28.2 m -54.74 -30.3 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -61.65 -44.78 96.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.546 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -73.31 -31.32 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.588 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.41 -29.8 68.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.536 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -94.18 -56.14 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 10.5 t -61.44 -28.46 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.556 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.99 -19.1 0.5 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' B' ' 19' ' ' SER . 20.8 ptmt -66.9 -167.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 0.0 110.602 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -65.83 -172.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.507 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.82 -159.08 51.16 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 27' ' ' LYS . 58.6 m-20 -69.14 104.18 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.53 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.475 ' O ' ' OG ' ' B' ' 19' ' ' SER . 30.3 mtmm -71.88 -29.26 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -71.68 -33.07 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' B' ' 24' ' ' ASP . 40.2 mmtm -115.06 143.08 45.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.733 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.4 tp -98.26 139.97 33.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.486 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.3 p -79.38 165.8 22.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -89.09 -17.63 28.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.684 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -63.08 -59.66 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -64.19 -31.85 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.529 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.449 ' HA ' HD21 ' B' ' 36' ' ' LEU . 44.6 tp -48.61 -45.27 37.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.597 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -69.84 -25.51 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.81 -57.3 3.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.047 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' B' ' 33' ' ' LEU . 3.0 pp -62.15 -31.16 71.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.088 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.74 -48.64 66.57 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.436 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' B' ' 42' ' ' SER . 4.9 mm100 -73.25 -50.45 22.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.846 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.1 m -55.92 -41.28 74.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.71 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -79.16 -10.45 59.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.3 mt -129.26 -82.84 0.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.485 ' N ' ' O ' ' B' ' 38' ' ' GLN . 25.9 t 56.92 49.44 14.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.591 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.95 -47.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -58.71 -26.45 63.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.717 0.294 . . . . 0.0 110.649 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.596 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -78.81 -12.31 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.617 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 58.1 t0 -87.58 7.39 29.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.692 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.99 63.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -94.97 112.76 24.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.707 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -93.85 -65.06 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.526 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 79.2 m-20 -61.11 154.85 21.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.541 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.39 -58.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.343 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 15.3 p-10 -50.56 -47.69 57.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.694 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.87 89.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' B' ' 50' ' ' ASP . 76.2 t -66.7 -27.99 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -82.91 -20.21 35.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -57.32 -53.97 52.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.539 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.459 HG13 ' N ' ' B' ' 58' ' ' MET . 13.4 p -62.89 -38.89 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.594 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.459 ' N ' HG13 ' B' ' 57' ' ' VAL . 30.9 tpp -63.85 -34.87 78.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -58.63 -43.0 89.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.88 -40.13 75.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.598 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.46 -42.87 86.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -69.3 -33.12 72.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.584 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -48.69 -33.76 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.572 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.417 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 1.7 p30 -161.6 -62.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.65 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.417 ' H ' ' CG ' ' B' ' 64' ' ' ASN . . . 85.16 11.74 75.28 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.34 18.2 1.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.528 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.25 -160.78 34.61 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -135.76 159.19 42.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.799 0.333 . . . . 0.0 110.389 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -137.14 147.39 26.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.504 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -89.64 -157.83 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.66 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -87.23 -56.24 3.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.695 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.433 ' O ' HG23 ' B' ' 76' ' ' VAL . 33.5 mt-30 -58.04 -44.3 87.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.573 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 40.5 mp0 -70.96 -27.2 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.472 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -68.64 -56.96 6.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.326 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.5 m -51.94 -31.0 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.49 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 47.7 t -64.11 -43.14 97.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.63 -40.4 92.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.544 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.414 ' O ' HD21 ' B' ' 81' ' ' LEU . 69.6 t -63.31 -29.23 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.74 -19.49 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.799 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.86 -64.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.339 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.602 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -60.54 -19.9 58.68 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.889 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -73.15 -50.58 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.695 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.09 -38.65 82.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.74 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.18 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.3 m -91.93 -33.5 14.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.556 ' ND2' ' CD1' ' B' ' 88' ' ' PHE . 13.8 t-20 -44.66 140.37 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.525 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -150.21 50.69 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.593 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.556 ' CD1' ' ND2' ' B' ' 86' ' ' ASN . 9.3 m-85 -72.9 -39.21 66.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.682 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -115.77 -31.11 5.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.756 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -56.03 -29.1 59.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.536 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' B' ' 92' ' ' ASN . 25.2 tt0 45.05 -98.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.434 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' B' ' 91' ' ' GLU . 78.4 m-20 -162.0 45.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.596 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.609 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 m -92.42 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.467 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 52.6 mp0 -62.55 -23.52 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.554 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.7 tt -74.06 -43.36 58.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.33 -53.72 55.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.7 t -63.73 -21.79 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.682 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -52.59 -46.92 67.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.557 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.7 mmm -70.37 -30.9 67.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.503 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 73.9 mm-40 -67.88 -21.6 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.663 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.6 m -80.56 -33.47 36.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.709 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 14' ' ' VAL . 11.4 mt -72.61 -45.32 59.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.787 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 tt -66.41 -22.58 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 93.3 m-20 -61.8 -40.85 96.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 11' ' ' LEU . 19.3 m -83.26 -24.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.8 -62.86 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.669 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 3.5 p80 -59.8 -33.63 71.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.641 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.669 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -59.57 -44.43 93.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.694 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -80.14 -35.08 37.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.716 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 p -65.69 -26.28 67.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.54 -24.74 48.05 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 22' ' ' GLU . 14.1 ptpt -139.14 173.12 11.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 110.601 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 21' ' ' LYS . 92.0 mt-10 57.54 120.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.54 -144.08 36.54 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 63.5 t0 -67.86 138.3 55.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 16.5 pttp -84.02 36.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -149.27 -44.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -126.45 153.54 44.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.54 151.39 21.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.466 ' HA ' ' H ' ' A' ' 68' ' ' GLU . 59.6 p -86.9 158.8 19.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.645 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.36 -33.53 74.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -57.92 -56.23 24.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.49 ' NE2' ' OE1' ' A' ' 35' ' ' GLU . 24.8 mm100 -57.89 -27.6 63.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.681 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.679 ' O ' HD23 ' A' ' 33' ' ' LEU . 1.2 tt -53.07 -36.56 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.521 ' NZ ' HD12 ' A' ' 61' ' ' LEU . 22.2 mtpp -76.86 -25.28 52.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.49 ' OE1' ' NE2' ' A' ' 32' ' ' GLN . 50.6 tt0 -76.68 -47.04 23.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.33 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 33' ' ' LEU . 3.2 pp -72.35 -28.32 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.316 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 37' ' ' LEU . 9.2 mt -51.99 -62.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.43 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.22 -44.78 90.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -56.74 -45.7 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.835 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -71.7 -47.13 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.749 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.4 mp -82.22 -105.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.753 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 2.4 p 80.49 36.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.58 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.89 -56.21 0.03 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.585 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 59.5 m-85 -57.12 -48.53 78.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 110.551 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.15 -21.38 65.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.629 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.52 2.79 46.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.23 29.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.88 140.05 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -89.76 -72.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -80.43 131.71 35.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.75 -42.93 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.432 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.565 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 34.3 p-10 -53.35 -38.18 63.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.688 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.565 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.62 -44.05 91.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.88 -27.16 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -83.0 -20.14 35.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.438 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -58.46 -59.26 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.451 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.92 -34.75 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.558 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.0 ttt -56.19 -37.91 70.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -62.01 -38.27 88.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.04 -41.79 75.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.634 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.521 HD12 ' NZ ' ' A' ' 34' ' ' LYS . 73.2 mt -69.27 -34.08 74.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.625 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.12 -44.6 94.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.571 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -75.34 -45.05 41.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -96.03 34.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.683 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.04 43.56 2.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -87.45 -81.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 110.669 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 168.72 174.45 37.38 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' A' ' 67' ' ' GLY . 98.6 mt-10 56.13 119.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 0.0 110.573 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.0 145.56 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.651 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 42.0 t0 -87.6 150.26 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.438 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.46 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 71.1 t80 -50.73 -44.57 58.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.22 -50.59 72.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.662 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -64.23 -18.48 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.415 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -83.77 -63.79 1.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.623 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.531 HG23 ' N ' ' A' ' 76' ' ' VAL . 35.9 m -49.83 -45.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.942 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.531 ' N ' HG23 ' A' ' 75' ' ' VAL . 6.0 p -59.26 -39.54 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.729 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.444 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.8 tp -65.08 -35.54 81.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.45 ' O ' ' OG1' ' A' ' 82' ' ' THR . 92.4 t -64.31 -27.39 42.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.511 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -86.0 -19.59 30.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.21 -64.96 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.166 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.15 -19.81 64.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.827 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.533 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 45.7 m -69.97 -40.16 75.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.595 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 79' ' ' ALA . 75.1 t -65.78 -37.73 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.645 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.31 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.585 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 27.2 p -98.48 -14.68 19.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -51.09 135.3 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.543 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -142.56 35.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.552 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 43.5 m-85 -79.85 -6.81 58.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.421 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 74.3 m-85 -154.42 -25.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -79.19 25.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.68 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 89' ' ' PHE . 36.0 tt0 -57.96 -35.65 71.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.616 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -93.99 157.25 16.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.3 p . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.535 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m -92.34 162.77 14.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.486 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 52.6 mp0 -62.6 -23.47 67.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.668 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.7 tt -74.1 -43.32 58.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.423 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.29 -53.75 54.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.707 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 14.7 t -63.66 -21.89 66.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.663 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -52.59 -46.97 67.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -70.28 -30.94 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.469 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 74.0 mm-40 -67.89 -21.56 65.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.666 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.7 m -80.65 -33.4 35.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.482 ' O ' HG22 ' B' ' 14' ' ' VAL . 11.4 mt -72.65 -45.39 59.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.749 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 tt -66.4 -22.5 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.689 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 93.5 m-20 -61.87 -40.79 96.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.482 HG22 ' O ' ' B' ' 11' ' ' LEU . 19.3 m -83.13 -24.26 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.873 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -69.76 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.725 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.673 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 3.5 p80 -59.84 -33.64 72.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.673 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.52 -44.49 93.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -80.17 -35.05 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.0 p -65.67 -26.28 67.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.606 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.64 -24.71 48.71 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 22' ' ' GLU . 14.2 ptpt -139.1 173.08 11.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.637 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' B' ' 21' ' ' LYS . 91.8 mt-10 57.57 120.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.48 -144.03 36.55 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 63.5 t0 -67.85 138.43 56.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.555 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.418 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 16.5 pttp -84.14 36.08 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.514 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -149.19 -44.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.637 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -126.38 153.59 44.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.51 151.48 21.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.463 ' HA ' ' H ' ' B' ' 68' ' ' GLU . 59.5 p -87.0 158.74 19.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.33 -33.52 74.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.773 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -57.9 -56.15 25.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.494 ' NE2' ' OE1' ' B' ' 35' ' ' GLU . 24.8 mm100 -58.05 -27.48 63.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.56 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.669 ' O ' HD23 ' B' ' 33' ' ' LEU . 1.2 tt -53.12 -36.66 61.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.519 ' NZ ' HD12 ' B' ' 61' ' ' LEU . 22.2 mtpp -76.79 -25.3 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.494 ' OE1' ' NE2' ' B' ' 32' ' ' GLN . 50.6 tt0 -76.65 -47.01 23.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.371 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.457 HD21 ' HA ' ' B' ' 33' ' ' LEU . 3.2 pp -72.48 -28.12 62.71 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.305 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' B' ' 37' ' ' LEU . 9.1 mt -52.16 -62.01 1.9 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.363 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.29 -44.7 90.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -56.71 -45.82 81.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -71.63 -47.08 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.52 HD12 ' N ' ' B' ' 41' ' ' LEU . 7.3 mp -82.21 -105.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.72 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 2.4 p 80.44 36.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.01 -56.21 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.568 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 59.4 m-85 -56.95 -48.66 77.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.516 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.18 -21.33 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.665 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.48 2.75 46.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.561 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.2 29.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.9 140.04 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.635 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -89.71 -72.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -80.43 131.8 35.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.78 -42.99 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.409 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 34.6 p-10 -53.31 -38.18 62.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.692 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.572 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -64.6 -44.07 91.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.85 -27.25 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.519 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -82.83 -20.28 35.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -58.45 -59.23 5.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.383 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 8.6 p -61.91 -34.71 64.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.0 ttt -56.17 -37.91 70.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -62.06 -38.28 88.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.623 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.04 -41.71 75.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.627 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.519 HD12 ' NZ ' ' B' ' 34' ' ' LYS . 73.6 mt -69.3 -34.16 74.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.65 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -59.98 -44.59 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.39 -44.95 42.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.626 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -96.07 34.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.658 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.02 43.58 2.48 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -87.55 -81.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 168.72 174.44 37.38 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' B' ' 67' ' ' GLY . 98.6 mt-10 56.13 119.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.792 0.329 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.96 145.57 35.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 42.1 t0 -87.61 150.28 23.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.454 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 70.8 t80 -50.67 -44.67 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.653 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -61.13 -50.6 72.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.71 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -64.23 -18.56 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.406 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -83.69 -63.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.604 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.531 HG23 ' N ' ' B' ' 76' ' ' VAL . 35.9 m -49.71 -45.73 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.933 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.531 ' N ' HG23 ' B' ' 75' ' ' VAL . 6.0 p -59.24 -39.66 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.593 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.459 ' N ' HG13 ' B' ' 76' ' ' VAL . 3.8 tp -65.02 -35.56 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.702 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.443 ' O ' ' OG1' ' B' ' 82' ' ' THR . 93.1 t -64.29 -27.44 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.517 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.412 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.86 -19.59 30.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.33 -64.76 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.214 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.604 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.17 -19.96 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.838 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.527 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 46.5 m -69.93 -40.16 75.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.621 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 79' ' ' ALA . 76.7 t -65.66 -37.8 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.706 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.34 -30.34 69.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.568 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 27.1 p -98.46 -14.68 19.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -51.06 135.35 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.542 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -142.61 35.61 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.548 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 43.5 m-85 -79.95 -6.71 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.423 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 74.8 m-85 -154.46 -25.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -79.22 25.42 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.62 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' B' ' 89' ' ' PHE . 36.0 tt0 -57.98 -35.69 71.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.552 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -93.9 157.27 16.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.595 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.541 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -141.92 163.85 31.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.462 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.38 -29.57 70.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.702 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' B' ' 40' ' ' GLU . 42.9 tp -70.35 -32.05 69.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.588 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.36 -48.35 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.759 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -77.53 -21.43 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.506 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.78 -43.31 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.5 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.8 mmm -73.22 -32.3 64.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.429 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -65.42 -23.61 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.3 m -75.02 -40.8 60.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.656 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.87 -46.59 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.99 -42.42 94.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.282 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.452 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 55.2 t30 -57.69 -45.86 85.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.646 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -72.0 -35.87 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -51.16 -53.17 37.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.611 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.4 p80 -73.84 -22.18 59.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.707 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.478 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -62.85 -33.21 74.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.762 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -88.96 -35.96 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.33 -36.04 79.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.667 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.16 76.96 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -68.73 -109.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.668 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -90.79 167.26 12.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . 87.98 -155.29 26.36 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 23' ' ' GLY . 14.3 m-20 -58.34 -130.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.49 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -145.11 -40.7 0.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.474 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -114.65 -6.91 12.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.32 154.87 37.05 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tp -121.63 142.72 49.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.498 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -98.37 167.93 10.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.755 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.12 -34.83 71.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.41 -30.55 62.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.71 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -78.67 -34.91 45.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -54.19 -53.91 47.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.46 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -53.95 -25.62 21.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.17 -57.65 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.309 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.65 -32.93 74.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.172 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 37' ' ' LEU . 17.3 mt -50.67 -48.35 58.45 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.534 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.468 ' O ' ' OG ' ' A' ' 42' ' ' SER . 75.8 mt-30 -72.36 -52.84 14.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -56.47 -34.46 66.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.832 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.415 ' HB3' HD23 ' B' ' 4' ' ' LEU . 76.6 mm-40 -82.4 -44.5 16.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.884 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -89.74 -85.48 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 3.5 m 56.82 33.52 23.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.329 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.2 -50.65 0.05 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -64.27 -48.88 74.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.561 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.39 -14.25 61.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 42' ' ' SER . 7.3 m-20 -85.21 1.05 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.85 37.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -74.66 131.04 40.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -93.75 -44.33 8.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -77.04 131.9 38.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 52' ' ' ASP . 7.1 p -101.19 -40.22 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.682 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' N ' HG13 ' A' ' 51' ' ' VAL . 4.0 p30 -65.15 -43.78 90.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.84 98.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.631 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.81 -29.58 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -75.95 -41.43 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -59.61 -54.85 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.592 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 58' ' ' MET . 9.5 p -57.4 -39.78 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.693 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.457 ' N ' HG13 ' A' ' 57' ' ' VAL . 16.1 tpp -73.4 -35.9 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.542 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -63.92 -37.48 87.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -53.86 -36.66 62.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.657 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' GLY . 12.3 mt -73.75 -39.29 64.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.564 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -67.04 -41.35 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.27 -36.57 84.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' ASP . 25.4 m-20 -90.75 -69.54 0.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.56 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 40.78 25.09 0.1 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ASN . 64.1 m-20 -157.15 89.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.51 153.99 6.02 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 68' ' ' GLU . 43.9 mp0 -86.98 -175.79 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.49 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.62 150.76 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.453 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.4 t70 -100.0 178.46 4.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.539 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.453 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 67.1 t80 -55.24 -55.06 35.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -58.68 -45.43 89.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.639 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.544 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 17.9 mp0 -70.39 -18.61 63.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.019 0.438 . . . . 0.0 110.413 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.69 -60.99 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.6 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.58 HG23 ' N ' ' A' ' 76' ' ' VAL . 35.6 m -47.81 -47.44 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.963 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.58 ' N ' HG23 ' A' ' 75' ' ' VAL . 11.4 p -54.76 -45.35 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.896 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.565 ' N ' HG13 ' A' ' 76' ' ' VAL . 71.3 mt -59.2 -37.92 78.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.737 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.4 t -67.09 -29.1 45.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.76 -19.48 30.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.42 -64.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.176 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -64.02 -19.81 65.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.949 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.8 m -68.55 -50.62 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.653 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.46 -28.68 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.684 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.84 90.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.78 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.8 t -96.69 -36.66 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.795 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -42.32 -54.07 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.687 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 43.73 57.23 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.537 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -66.51 -75.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.712 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.411 ' C ' ' H ' ' A' ' 91' ' ' GLU . 85.9 t80 -99.16 -8.53 25.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.68 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -71.59 46.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.611 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 89' ' ' PHE . 95.9 mt-10 -83.84 151.2 25.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -140.75 177.75 7.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.466 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.8 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.585 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -141.99 163.8 31.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.482 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.48 -29.43 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.689 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 40' ' ' GLU . 42.7 tp -70.33 -32.08 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.581 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.38 -48.35 70.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.756 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -77.46 -21.48 52.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.626 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.35 62.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.505 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 50.7 mmm -73.2 -32.32 64.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -65.42 -23.61 66.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 24.2 m -75.02 -40.81 60.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.669 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -70.98 -46.48 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.651 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.633 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -61.92 -42.47 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.46 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 55.3 t30 -57.65 -45.87 84.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.677 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 69.8 t -72.0 -35.85 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.708 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -51.19 -53.05 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.7 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.535 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.3 p80 -73.98 -22.05 59.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.703 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.48 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -62.83 -33.28 74.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -89.01 -35.96 16.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.639 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.31 -36.05 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.11 -30.17 77.0 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -68.63 -109.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.621 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -90.82 167.25 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.582 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . 88.03 -155.29 26.3 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' B' ' 23' ' ' GLY . 14.3 m-20 -58.38 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.473 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -145.11 -40.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -114.55 -6.94 12.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.497 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.36 154.78 37.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 tp -121.59 142.72 49.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -98.3 167.92 10.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.792 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.13 -34.88 71.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.34 -30.59 62.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -78.68 -34.91 45.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.817 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -54.17 -53.85 47.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.545 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -54.05 -25.53 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.23 -57.54 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.321 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.84 -32.82 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.166 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -50.64 -48.35 58.17 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.597 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.47 ' O ' ' OG ' ' B' ' 42' ' ' SER . 75.8 mt-30 -72.3 -52.94 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.4 m -56.45 -34.49 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.868 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.425 ' HB3' HD23 ' A' ' 4' ' ' LEU . 76.7 mm-40 -82.41 -44.45 16.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.847 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -89.73 -85.39 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.914 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 3.5 m 56.74 33.61 23.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.332 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.29 -50.63 0.05 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -64.34 -48.9 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.482 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.35 -14.32 61.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' B' ' 42' ' ' SER . 7.3 m-20 -85.17 1.05 49.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.538 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.83 37.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.5 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -74.71 130.95 40.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -93.7 -44.29 8.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -77.03 131.88 38.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.461 HG13 ' N ' ' B' ' 52' ' ' ASP . 7.1 p -101.32 -40.07 7.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.461 ' N ' HG13 ' B' ' 51' ' ' VAL . 4.0 p30 -65.25 -43.71 90.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.634 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.63 98.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.664 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.9 t -68.04 -29.48 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.612 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -75.96 -41.46 51.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -59.57 -54.82 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.584 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.452 HG13 ' N ' ' B' ' 58' ' ' MET . 9.5 p -57.42 -39.69 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.779 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.452 ' N ' HG13 ' B' ' 57' ' ' VAL . 16.0 tpp -73.43 -35.92 65.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.541 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -63.96 -37.45 87.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.595 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -53.93 -36.53 62.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 65' ' ' GLY . 12.3 mt -73.85 -39.3 64.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -66.95 -41.36 87.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.39 -36.39 83.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' B' ' 66' ' ' ASP . 25.2 m-20 -90.82 -69.47 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . 40.67 25.17 0.09 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' B' ' 64' ' ' ASN . 64.3 m-20 -157.16 89.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.57 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.38 154.01 6.02 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' B' ' 68' ' ' GLU . 43.9 mp0 -86.95 -175.77 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.467 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.7 150.69 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.3 t70 -99.91 178.51 4.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.445 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 66.8 t80 -55.28 -55.09 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -58.74 -45.31 89.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.733 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 17.8 mp0 -70.44 -18.69 63.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.957 0.408 . . . . 0.0 110.359 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.65 -61.01 1.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.575 HG23 ' N ' ' B' ' 76' ' ' VAL . 35.6 m -47.76 -47.54 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.861 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.58 HG13 ' N ' ' B' ' 77' ' ' LEU . 11.4 p -54.69 -45.34 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.932 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.58 ' N ' HG13 ' B' ' 76' ' ' VAL . 71.0 mt -59.24 -37.88 78.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.746 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 72.5 t -67.16 -29.1 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.628 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.67 -19.53 30.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.55 -64.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.124 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.58 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -64.02 -20.01 65.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.958 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.6 m -68.34 -50.74 51.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.675 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 76.7 t -59.42 -28.71 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.722 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.87 90.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.8 t -96.73 -36.58 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -42.43 -53.92 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.666 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 43.61 57.26 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -66.45 -76.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.66 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.407 ' C ' ' H ' ' B' ' 91' ' ' GLU . 85.7 t80 -99.15 -8.5 25.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.588 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -71.67 46.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.58 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' B' ' 89' ' ' PHE . 95.8 mt-10 -83.82 151.17 25.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -140.8 177.66 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.56 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 72.3 m . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.585 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.736 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -82.75 152.73 25.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.742 0.306 . . . . 0.0 110.585 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.549 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 55.2 mp0 -57.96 -23.14 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.464 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.0 tt -76.74 -42.81 39.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.96 -51.91 67.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -65.69 -22.22 66.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.594 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -53.22 -46.46 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.367 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.5 mmm -69.9 -30.27 67.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.324 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -68.86 -26.54 65.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -78.31 -34.21 48.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.85 -49.46 58.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.16 -22.61 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.577 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -55.74 -40.86 73.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.447 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 84.1 t -84.05 -32.71 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.699 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -57.26 -58.84 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.725 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.534 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.7 p80 -62.41 -21.24 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -67.99 -49.05 63.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.666 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -77.4 -49.39 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.0 p -58.57 -27.85 65.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.503 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.93 -11.75 82.19 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -97.56 -51.35 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.624 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -139.4 154.27 47.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.514 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.39 -175.86 54.54 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' O ' ' A' ' 27' ' ' LYS . 94.0 m-20 -67.89 138.45 56.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 110.485 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -64.57 -44.43 90.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.35 -55.18 11.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' A' ' 24' ' ' ASP . 20.6 mmtm -104.7 146.15 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.563 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 tp -101.56 131.23 47.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.446 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -66.67 139.15 57.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.644 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HZ3' ' HB3' ' A' ' 30' ' ' LYS . 10.1 mtpm? -62.27 -23.51 66.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.464 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -56.38 -37.53 70.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.527 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -71.05 -36.65 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -49.8 -21.32 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.518 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -68.35 -63.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.4 -42.84 61.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.791 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 tp -44.3 -54.04 6.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.413 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -43.77 -65.66 0.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.765 -179.455 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.449 ' O ' ' OG ' ' A' ' 42' ' ' SER . 83.9 mt-30 -65.05 -50.82 64.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.93 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.9 m -44.72 -46.59 10.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -91.43 -50.54 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.219 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.4 mp -103.93 99.87 9.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -120.49 40.76 3.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.867 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.71 -48.08 0.06 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -57.81 -21.68 43.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.638 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -96.9 3.88 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.61 ' N ' HD12 ' A' ' 45' ' ' LEU . 57.1 t0 -103.7 4.65 35.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -151.83 33.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.599 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.632 ' CD ' ' H ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -43.04 94.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' ALA . 21.1 tptp -60.0 -41.24 91.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.469 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -98.52 -141.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.599 HG13 ' N ' ' A' ' 52' ' ' ASP . 10.8 p -168.83 -46.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.599 ' N ' HG13 ' A' ' 51' ' ' VAL . 85.9 m-20 -65.86 -37.79 87.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.614 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -33.53 67.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 57' ' ' VAL . 71.6 t -69.12 -42.02 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.569 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -71.61 -20.15 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.373 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -57.35 -57.84 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.685 HG23 HD12 ' A' ' 77' ' ' LEU . 2.4 p -55.42 -34.02 33.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttm -65.51 -35.43 80.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.629 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.25 -38.54 91.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.629 ' OE2' HD11 ' A' ' 77' ' ' LEU . 43.5 mt-10 -50.72 -41.63 56.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.604 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.607 ' N ' HD12 ' A' ' 61' ' ' LEU . 8.8 mp -65.41 -38.66 90.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -70.24 -31.43 68.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -59.96 -24.95 64.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.578 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -142.93 -72.54 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.06 0.41 69.96 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -151.39 72.23 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 0.0 110.526 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.34 -155.94 7.55 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.11 171.34 14.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.11 -162.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.475 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.423 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 32.0 t0 -144.44 175.89 9.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -58.03 -34.97 70.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.71 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 76' ' ' VAL . 29.5 mt-30 -73.14 -39.05 66.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 14.1 mp0 -78.49 -27.81 46.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.543 ' O ' HG23 ' A' ' 78' ' ' VAL . 3.4 t80 -66.86 -40.18 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.333 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 72' ' ' GLN . 30.1 m -71.67 -29.04 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.0 t -63.37 -53.56 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.685 HD12 HG23 ' A' ' 57' ' ' VAL . 4.3 mm? -60.85 -33.45 73.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 74' ' ' TYR . 73.9 t -68.41 -38.58 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -78.24 -19.86 52.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.712 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.39 -54.21 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.71 -25.13 68.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -75.39 -49.73 18.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.8 t -60.97 -36.9 75.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.604 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.33 -35.23 62.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.687 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.0 -46.76 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.665 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -55.44 140.5 39.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.632 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 91' ' ' GLU . 1.9 p-10 -144.67 36.63 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.53 -48.97 79.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -72.54 -43.23 63.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -76.94 -146.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.599 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.568 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 49.8 mt-10 -52.62 125.51 16.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.444 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 93' ' ' SER . 44.6 p-10 -85.51 19.21 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.581 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 92' ' ' ASN . 28.9 t . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -82.76 152.7 25.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.557 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 55.5 mp0 -58.01 -23.08 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.497 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.654 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.0 tt -76.75 -42.88 39.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.91 -51.92 67.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -65.77 -22.18 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.534 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -53.28 -46.3 69.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.431 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 77.6 mmm -70.06 -30.06 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.38 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -69.01 -26.48 65.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.687 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -78.28 -34.23 49.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.67 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.88 -49.52 57.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.755 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.06 -22.64 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.633 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -55.75 -40.86 73.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.663 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.452 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 83.1 t -84.09 -32.68 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -57.32 -58.87 6.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.537 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.8 p80 -62.49 -21.06 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.686 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -67.99 -49.07 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -77.4 -49.43 14.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.681 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.4 p -58.48 -27.81 64.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.02 -11.81 81.98 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -97.53 -51.27 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.712 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -139.37 154.32 47.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.41 -175.85 54.56 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.0 m-20 -67.91 138.51 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.395 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -64.65 -44.43 90.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.794 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.29 -55.23 11.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' B' ' 24' ' ' ASP . 20.5 mmtm -104.66 146.14 29.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.54 131.19 47.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.464 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -66.65 139.07 57.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.671 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.418 ' HB3' ' HZ3' ' B' ' 30' ' ' LYS . 10.1 mtpm? -62.22 -23.48 66.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.439 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -56.35 -37.51 70.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.523 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -71.08 -36.79 72.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.474 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -49.62 -21.4 1.01 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -68.27 -63.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.749 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.45 -42.78 61.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.721 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 tp -44.37 -53.9 6.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' B' ' 41' ' ' LEU . 0.5 OUTLIER -43.89 -65.58 0.49 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.735 -179.485 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.433 ' O ' ' OG ' ' B' ' 42' ' ' SER . 83.9 mt-30 -65.04 -50.86 64.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.962 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 26.7 m -44.69 -46.63 10.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -91.53 -50.48 5.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.122 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' B' ' 37' ' ' LEU . 4.4 mp -103.96 99.91 9.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.842 0.353 . . . . 0.0 110.732 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 0.8 OUTLIER -120.54 40.86 3.4 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 179.83 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.81 -48.07 0.06 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -57.85 -21.69 44.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.624 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.608 HD12 ' N ' ' B' ' 46' ' ' ASP . 0.4 OUTLIER -96.8 3.88 52.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.608 ' N ' HD12 ' B' ' 45' ' ' LEU . 57.2 t0 -103.68 4.57 35.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -151.77 33.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.567 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.627 ' CD ' ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -43.11 94.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.465 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' B' ' 47' ' ' ALA . 21.2 tptp -60.14 -41.1 92.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.489 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -98.52 -141.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.544 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.597 HG13 ' N ' ' B' ' 52' ' ' ASP . 10.7 p -168.83 -46.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.597 ' N ' HG13 ' B' ' 51' ' ' VAL . 85.8 m-20 -65.71 -37.97 87.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.65 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.07 -33.55 68.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.431 ' O ' HG12 ' B' ' 57' ' ' VAL . 72.4 t -69.11 -41.99 81.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.613 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -71.55 -20.29 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.379 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -57.28 -57.9 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.459 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.68 HG23 HD12 ' B' ' 77' ' ' LEU . 2.4 p -55.53 -33.91 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttm -65.56 -35.37 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.675 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.26 -38.6 91.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.632 ' OE2' HD11 ' B' ' 77' ' ' LEU . 43.5 mt-10 -50.67 -41.68 55.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.582 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.61 HD12 ' N ' ' B' ' 61' ' ' LEU . 8.8 mp -65.33 -38.68 90.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.465 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -70.2 -31.48 68.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.509 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -59.93 -24.99 64.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.472 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -142.94 -72.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.448 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.12 0.34 70.08 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -151.37 72.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.474 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.36 -155.94 7.55 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.1 171.31 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.543 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.07 -162.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.429 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 32.3 t0 -144.46 175.86 9.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.561 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -57.95 -35.02 70.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.753 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.555 ' O ' HG23 ' B' ' 76' ' ' VAL . 29.4 mt-30 -73.08 -39.12 66.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.429 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 14.2 mp0 -78.4 -27.8 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.557 ' O ' HG23 ' B' ' 78' ' ' VAL . 3.4 t80 -66.81 -40.3 88.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.284 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 72' ' ' GLN . 30.4 m -71.57 -29.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.59 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.555 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.9 t -63.3 -53.57 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.474 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.68 HD12 HG23 ' B' ' 57' ' ' VAL . 4.3 mm? -60.83 -33.47 73.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.404 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.557 HG23 ' O ' ' B' ' 74' ' ' TYR . 74.2 t -68.37 -38.6 79.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.601 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.415 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -78.22 -19.81 53.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.52 -54.13 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.707 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.65 -25.15 67.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.526 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -75.41 -49.78 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.6 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 79' ' ' ALA . 55.2 t -60.91 -36.94 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.554 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.37 -35.15 62.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.3 t -97.01 -46.88 6.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.678 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -55.31 140.48 39.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.627 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.566 ' ND2' ' O ' ' B' ' 91' ' ' GLU . 1.9 p-10 -144.61 36.57 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.46 -49.01 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -72.46 -43.28 63.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.568 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -76.95 -146.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.581 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.566 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 49.8 mt-10 -52.58 125.53 16.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.532 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' B' ' 93' ' ' SER . 44.6 p-10 -85.56 19.19 2.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.503 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.432 ' C ' ' O ' ' B' ' 92' ' ' ASN . 28.9 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.478 ' O ' HG22 ' A' ' 6' ' ' THR . 60.7 p -72.93 155.53 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.695 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.3 -24.91 68.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.468 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.538 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -79.74 -61.73 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -52.5 -44.15 65.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 2' ' ' SER . 6.3 t -69.24 -20.66 63.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.698 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -56.46 -37.23 70.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.747 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -83.87 -25.4 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.744 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.5 -25.29 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.716 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -78.38 -48.04 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.652 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.36 -46.54 82.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.644 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.622 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -60.01 -45.54 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.343 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.508 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 79.6 m-20 -60.33 -41.24 93.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.777 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.4 t -77.11 -29.59 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.721 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -57.84 -51.72 68.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.521 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.9 p80 -75.53 -19.56 59.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -30.77 68.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.35 -49.3 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.6 p -58.58 -36.8 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -61.56 -21.78 60.78 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 20' ' ' GLY . 44.7 tttt -58.63 -136.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.589 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -105.28 133.6 49.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.09 -118.22 2.1 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -69.89 162.62 27.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.567 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -73.43 -63.6 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.563 ' OH ' ' CE2' ' B' ' 89' ' ' PHE . 3.8 m-85 -126.99 -4.94 6.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.627 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -91.65 168.97 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.652 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -131.4 126.13 34.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.415 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.4 p -60.55 155.72 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.57 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HA ' HD23 ' A' ' 33' ' ' LEU . 35.1 ttpt -83.76 -5.63 59.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -78.64 -34.9 46.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -70.51 -25.37 63.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 30' ' ' LYS . 4.0 mm? -47.38 -21.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -76.03 -64.82 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.769 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 39' ' ' THR . 94.4 mt-10 -69.5 -29.81 67.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.91 -50.56 73.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.415 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 41' ' ' LEU . 93.2 mt -68.79 -46.58 68.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.966 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.72 -36.97 81.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.133 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 86.6 m -72.82 -40.43 65.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.956 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -85.02 -50.59 7.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.7 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.3 mp -99.57 96.61 7.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.831 0.348 . . . . 0.0 110.388 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.8 p -123.38 38.42 4.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.441 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.99 -39.26 0.2 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' A' ' 46' ' ' ASP . 62.4 m-85 -67.72 -51.84 44.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 110.452 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.685 HD12 ' C ' ' A' ' 45' ' ' LEU . 2.0 pp -58.34 -0.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.667 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.665 ' N ' HD12 ' A' ' 45' ' ' LEU . 16.4 t70 -97.89 2.74 49.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.14 37.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.545 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -76.96 131.03 38.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -97.42 -78.8 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -50.9 153.17 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.643 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.2 -46.99 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.437 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -52.37 -48.58 65.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.74 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.0 84.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.618 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' ' 57' ' ' VAL . 75.3 t -64.61 -29.37 47.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.602 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -82.95 -20.28 35.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.428 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -53.87 -47.34 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.5 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 58' ' ' MET . 6.7 p -62.22 -40.23 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.466 ' N ' HG13 ' A' ' 57' ' ' VAL . 64.0 mtt -72.49 -24.54 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.39 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -50.59 -37.02 37.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -62.19 -37.09 83.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.35 -34.74 55.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.42 -41.63 98.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.37 -44.29 79.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -172.15 113.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.26 56.11 3.95 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 50.6 p30 -155.41 143.3 19.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.696 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.34 -148.88 18.79 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.536 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -144.58 173.32 11.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.753 0.311 . . . . 0.0 110.454 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.0 t -134.68 133.08 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.63 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.0 t0 -82.65 159.58 22.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.565 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 85.3 t80 -49.87 -51.47 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -59.16 -41.55 88.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.483 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -71.44 -18.44 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.343 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -83.84 -59.19 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.422 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.509 HG23 ' N ' ' A' ' 76' ' ' VAL . 34.0 m -50.81 -44.19 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.968 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 77' ' ' LEU . 9.6 p -63.3 -42.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.855 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.53 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.6 tp -60.96 -38.84 87.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.516 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.435 ' O ' ' OG1' ' A' ' 82' ' ' THR . 75.6 t -62.12 -23.78 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.545 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.96 -19.43 30.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.744 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -64.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -62.86 -19.93 64.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.928 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.494 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 35.4 m -73.77 -43.4 59.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.496 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 79' ' ' ALA . 76.2 t -66.41 -36.46 77.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -35.94 77.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.73 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.513 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 24.4 p -92.33 -29.6 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.745 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 85' ' ' CYS . 39.1 t30 -35.4 -83.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.597 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.6 m120 59.67 53.2 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.588 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -72.31 -76.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.444 ' CZ ' ' OH ' ' B' ' 26' ' ' TYR . 67.1 t80 -84.19 -29.68 26.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.75 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -42.45 -41.62 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.665 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -96.04 144.73 26.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.5 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.467 ' O ' ' O ' ' A' ' 93' ' ' SER . 28.6 p-10 -65.71 174.4 2.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 92' ' ' ASN . 49.7 m . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.53 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.48 ' O ' HG22 ' B' ' 6' ' ' THR . 60.6 p -73.05 155.53 39.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.61 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.27 -24.87 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 0.2 OUTLIER -79.65 -61.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.645 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -52.37 -44.26 65.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.48 HG22 ' O ' ' B' ' 2' ' ' SER . 6.3 t -69.17 -20.84 64.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.673 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -56.45 -37.15 69.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.729 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -83.97 -25.35 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.708 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.6 -25.2 67.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.677 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -78.39 -48.09 16.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.674 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.31 -46.52 83.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.738 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.633 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -60.05 -45.53 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.321 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.505 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 79.1 m-20 -60.33 -41.33 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.753 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -76.96 -29.7 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.723 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -57.79 -51.81 68.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.705 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.521 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 4.8 p80 -75.55 -19.5 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.783 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -30.85 68.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.666 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.35 -49.23 5.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.707 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.6 p -58.63 -36.69 74.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.688 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' B' ' 21' ' ' LYS . . . -61.59 -21.89 60.97 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 20' ' ' GLY . 44.3 tttt -58.52 -136.38 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.801 0.334 . . . . 0.0 110.628 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -105.29 133.53 49.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.13 -118.19 2.09 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -69.86 162.62 27.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 110.599 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -73.48 -63.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.712 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.444 ' OH ' ' CZ ' ' A' ' 89' ' ' PHE . 3.7 m-85 -127.01 -4.95 6.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -91.64 168.93 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.569 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -131.41 126.05 34.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.375 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -60.49 155.72 17.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.428 ' HA ' HD23 ' B' ' 33' ' ' LEU . 35.1 ttpt -83.84 -5.46 59.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -78.69 -34.94 45.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.508 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -70.5 -25.43 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.627 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' B' ' 30' ' ' LYS . 4.0 mm? -47.39 -21.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -75.92 -64.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.4 mt-10 -69.54 -29.71 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.98 -50.49 73.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 41' ' ' LEU . 93.6 mt -68.91 -46.51 68.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.71 -37.02 81.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.143 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 86.1 m -72.75 -40.47 66.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.912 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -85.09 -50.37 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.714 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' B' ' 37' ' ' LEU . 5.3 mp -99.63 96.54 7.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.783 0.325 . . . . 0.0 110.343 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 53.9 p -123.43 38.43 4.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.344 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.03 -39.27 0.2 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.528 ' C ' ' H ' ' B' ' 46' ' ' ASP . 62.4 m-85 -67.66 -51.81 45.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.808 0.337 . . . . 0.0 110.482 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.681 ' C ' HD12 ' B' ' 45' ' ' LEU . 2.0 pp -58.5 -0.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.667 ' N ' HD12 ' B' ' 45' ' ' LEU . 16.5 t70 -97.96 2.85 49.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.473 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.2 37.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -76.93 131.08 38.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -97.4 -78.89 0.47 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.637 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -50.93 153.11 1.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.1 -47.1 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.441 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -52.33 -48.6 65.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.778 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.99 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.71 -29.4 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -82.93 -20.27 35.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.384 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -53.85 -47.4 71.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.461 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.47 HG13 ' N ' ' B' ' 58' ' ' MET . 6.9 p -62.21 -40.22 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.47 ' N ' HG13 ' B' ' 57' ' ' VAL . 64.0 mtt -72.42 -24.59 61.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.466 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -50.52 -37.1 37.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.568 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -62.02 -37.12 83.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.508 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 45.6 mt -77.33 -34.77 55.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.49 -41.55 98.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -67.35 -44.25 79.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.647 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -172.21 113.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.2 56.04 3.97 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 50.6 p30 -155.35 143.36 20.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.25 -148.94 18.79 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 0.1 OUTLIER -144.51 173.35 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.745 0.307 . . . . 0.0 110.505 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.1 t -134.76 133.15 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 47.9 t0 -82.67 159.64 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.484 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.536 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 85.7 t80 -49.93 -51.57 40.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.481 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -59.08 -41.61 88.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -71.31 -18.58 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.356 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -83.65 -59.31 2.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.423 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.519 HG23 ' N ' ' B' ' 76' ' ' VAL . 33.9 m -50.75 -44.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.975 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.531 HG13 ' N ' ' B' ' 77' ' ' LEU . 9.5 p -63.42 -42.77 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.793 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.531 ' N ' HG13 ' B' ' 76' ' ' VAL . 3.6 tp -60.9 -38.82 87.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.622 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.413 ' O ' ' OG1' ' B' ' 82' ' ' THR . 75.6 t -62.18 -23.84 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.522 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.81 -19.47 30.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.784 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.05 -64.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.593 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -62.89 -20.04 64.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.883 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.497 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 34.7 m -73.7 -43.39 59.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 79' ' ' ALA . 76.4 t -66.44 -36.4 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.629 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.81 77.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.741 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' B' ' 82' ' ' THR . 24.5 p -92.31 -29.6 16.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.826 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' B' ' 85' ' ' CYS . 39.0 t30 -35.33 -83.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 m120 59.74 53.14 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -72.21 -76.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.563 ' CE2' ' OH ' ' A' ' 26' ' ' TYR . 67.0 t80 -84.15 -29.57 26.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.827 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -42.57 -41.61 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.575 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -96.07 144.67 26.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.473 ' O ' ' O ' ' B' ' 93' ' ' SER . 28.8 p-10 -65.66 174.39 2.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.513 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.473 ' O ' ' O ' ' B' ' 92' ' ' ASN . 49.6 m . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.58 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.36 161.23 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.33 -35.07 76.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.9 tp -74.34 -36.07 63.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.99 -44.73 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.67 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 t -78.63 -20.85 49.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.658 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.58 -43.58 68.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.4 mmm -74.28 -31.6 62.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.21 -28.8 70.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.0 m -73.12 -34.36 66.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.645 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.05 -57.33 6.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 12' ' ' ILE . 4.0 tt -57.76 -30.48 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.676 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -56.01 -38.06 69.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.498 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.9 t -81.31 -40.35 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.635 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -59.38 -59.09 6.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.528 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -55.67 -29.75 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.501 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.93 85.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -94.38 -22.94 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.609 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 p -61.82 -29.39 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.664 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.59 -146.96 0.12 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt 57.91 -144.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.476 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -83.89 161.93 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.13 -170.24 41.0 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.48 140.13 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.502 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -85.36 -19.68 31.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.628 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -100.54 -43.28 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.651 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -91.6 160.36 15.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -134.01 142.91 47.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.43 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -65.19 160.94 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.499 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 33.0 ttmt -90.26 -30.02 17.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.635 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -58.07 -42.68 86.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.607 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -60.07 -32.65 71.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 tp -49.58 -52.45 30.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -61.2 -25.55 67.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -83.87 -49.06 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.216 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -73.86 -26.85 60.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.129 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.65 -64.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.372 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 42' ' ' SER . 50.3 mt-30 -64.38 -52.63 57.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.696 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 m -46.23 -49.04 17.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.619 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.19 -37.94 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.568 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.84 -80.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.754 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' GLN . 4.1 m 51.09 42.41 28.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.535 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.05 -45.03 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -60.2 -32.0 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.782 0.325 . . . . 0.0 110.726 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.67 -26.99 50.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.349 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -77.86 1.88 19.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.493 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.66 46.13 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.14 162.69 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -138.07 -77.76 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 54' ' ' VAL . 88.7 m-20 -49.36 135.21 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.644 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -93.96 -52.25 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.483 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 24.7 p-10 -53.47 -54.82 31.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.671 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.12 -42.91 66.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.711 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 50' ' ' ASP . 87.5 t -67.95 -27.26 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -71.58 -34.6 70.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.755 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.73 -61.89 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.457 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -50.15 -38.74 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.643 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.6 mtt -69.94 -37.18 75.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.513 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -58.32 -36.85 74.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' A' ' 64' ' ' ASN . 70.0 mm-40 -55.73 -38.57 69.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.465 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' GLY . 40.1 mt -71.04 -38.06 72.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.355 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.15 -39.4 93.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.67 -37.28 85.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.483 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 6.5 p30 -157.37 72.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.773 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -59.19 -39.03 93.99 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.12 131.64 40.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.71 -175.96 32.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -121.81 158.16 29.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.719 0.295 . . . . 0.0 110.596 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.9 156.07 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.554 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -97.66 -173.63 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.494 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 74' ' ' TYR . 50.9 t80 -52.92 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' VAL . 34.1 mt-30 -38.62 -63.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.756 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -47.68 -24.47 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.397 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.54 ' N ' ' O ' ' A' ' 71' ' ' PHE . 2.5 t80 -99.94 -18.52 17.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -78.16 -36.92 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.581 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.532 HG13 ' N ' ' A' ' 77' ' ' LEU . 10.7 p -81.54 -42.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.532 ' N ' HG13 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -49.64 -50.2 44.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.524 -179.816 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.11 -27.58 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.92 -19.45 30.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.99 -65.12 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.229 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.8 pt? -61.25 -20.09 62.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.892 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -69.3 -50.16 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.696 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.98 -32.39 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.06 -19.13 60.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.814 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 m -127.55 28.34 5.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.742 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -68.08 -58.76 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.53 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.4 t30 55.42 47.95 20.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -96.39 -77.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -87.23 -29.05 21.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.611 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -45.19 -28.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.648 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.27 135.87 49.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.531 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -105.15 24.13 12.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.693 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 91.1 p . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.576 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.51 161.21 23.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.21 -35.12 76.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 50.0 tp -74.36 -36.07 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.0 -44.64 92.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.743 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.3 t -78.67 -20.8 49.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.647 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.58 -43.59 68.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.4 mmm -74.38 -31.53 62.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.504 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.32 -28.75 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.625 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.7 m -73.11 -34.48 66.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 mt -68.03 -57.28 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.658 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 tt -57.79 -30.56 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -55.91 -38.12 69.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.9 t -81.34 -40.19 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.751 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -59.48 -59.0 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -55.66 -29.82 59.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.0 86.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.518 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -94.36 -22.86 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.655 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.4 p -61.84 -29.35 70.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.64 -146.89 0.12 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt 57.88 -144.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.613 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -83.98 161.91 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.24 -170.25 40.81 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.51 140.06 58.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.804 0.335 . . . . 0.0 110.566 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -85.32 -19.72 31.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -100.4 -43.33 6.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.73 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -91.58 160.29 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.702 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -133.92 142.92 47.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.512 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -65.16 161.02 19.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.454 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 33.0 ttmt -90.31 -29.91 17.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -58.18 -42.67 86.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -60.1 -32.59 71.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.506 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 tp -49.62 -52.44 30.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -61.2 -25.55 67.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.436 ' O ' ' OG1' ' B' ' 39' ' ' THR . 79.6 mm-40 -83.83 -49.14 9.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -73.85 -26.75 60.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.119 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.61 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.352 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.482 ' O ' ' OG ' ' B' ' 42' ' ' SER . 50.3 mt-30 -64.36 -52.59 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.74 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 9.4 m -46.2 -49.11 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.14 -37.94 57.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.4 mt -95.9 -80.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.689 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 4.1 m 51.07 42.42 28.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.554 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.13 -44.96 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -60.17 -32.14 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 110.702 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.59 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -77.62 -26.91 50.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.383 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -77.91 1.85 19.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.61 46.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.09 162.64 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -137.96 -77.63 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.645 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.463 ' O ' HG23 ' B' ' 54' ' ' VAL . 88.9 m-20 -49.52 135.35 18.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.606 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -93.94 -52.35 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.467 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 24.8 p-10 -53.4 -54.92 29.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.05 -42.96 66.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.692 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 50' ' ' ASP . 88.7 t -67.97 -27.17 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.598 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -71.51 -34.7 70.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.749 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.67 -61.85 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.51 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -50.25 -38.79 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.603 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 48.5 mtt -69.91 -37.15 75.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -58.29 -36.91 74.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.625 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' B' ' 64' ' ' ASN . 70.1 mm-40 -55.61 -38.63 69.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.508 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' B' ' 65' ' ' GLY . 39.9 mt -71.01 -38.02 72.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.398 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.2 -39.36 93.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.76 -37.16 85.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.681 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.454 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 6.6 p30 -157.37 72.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.727 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -59.25 -38.99 94.02 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.09 131.7 40.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.497 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.6 -176.01 32.52 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -121.85 158.18 29.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.789 0.328 . . . . 0.0 110.502 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.94 156.1 25.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -97.71 -173.64 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.55 ' O ' ' N ' ' B' ' 74' ' ' TYR . 50.6 t80 -52.9 -73.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' B' ' 75' ' ' VAL . 34.0 mt-30 -38.49 -63.08 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -47.78 -24.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.55 ' N ' ' O ' ' B' ' 71' ' ' PHE . 2.5 t80 -99.93 -18.57 17.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -78.13 -37.02 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.481 -179.569 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.544 HG13 ' N ' ' B' ' 77' ' ' LEU . 10.7 p -81.41 -42.83 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.544 ' N ' HG13 ' B' ' 76' ' ' VAL . 0.2 OUTLIER -49.78 -50.07 46.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.552 -179.795 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.15 -27.72 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.68 -19.52 30.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.12 -64.88 0.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.221 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.591 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.8 pt? -61.35 -20.21 62.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.871 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -69.21 -50.13 50.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.705 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.03 -32.44 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.04 -19.08 60.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.803 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 m -127.64 28.4 5.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.745 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -68.02 -58.78 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.605 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.5 t30 55.37 47.93 20.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -96.26 -77.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.701 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -87.3 -29.07 21.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.615 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -45.12 -28.71 0.78 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.62 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -55.37 135.94 49.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.519 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -105.3 24.33 12.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.647 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 91.1 p . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.545 179.913 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.7 OUTLIER 84.24 125.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 110.637 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -57.99 -34.96 70.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.65 -35.42 76.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.4 -50.47 73.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.677 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.39 -21.23 39.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.725 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.76 -41.33 43.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.469 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.4 mmm -74.66 -30.58 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.596 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.74 -29.42 70.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.0 m -75.04 -34.66 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.05 -56.05 13.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.721 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 tt -61.55 -23.1 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -56.53 -37.77 70.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.699 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.5 t -85.3 -29.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.66 -61.91 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.734 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.516 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.7 p80 -58.18 -20.56 42.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -70.05 -50.61 39.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.673 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -79.85 -38.11 33.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -57.38 -31.38 65.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.37 35.94 4.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 22' ' ' GLU . 80.0 tttt -146.08 115.56 7.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.624 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 21' ' ' LYS . 97.4 mt-10 46.11 100.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.571 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.6 -142.44 13.74 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.59 -178.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 0.0 110.641 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -106.08 -20.92 13.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.729 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -143.52 12.96 1.74 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.811 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -128.75 132.88 47.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.341 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.587 HD11 ' OE1' ' A' ' 32' ' ' GLN . 35.5 tp -97.18 132.54 42.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.592 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.7 p -74.97 165.68 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.554 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.447 ' HZ1' ' H ' ' A' ' 65' ' ' GLY . 9.8 mtmp? -90.28 -5.59 56.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.638 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -81.18 -23.43 38.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.587 ' OE1' HD11 ' A' ' 28' ' ' LEU . 83.7 mt-30 -82.87 -39.5 21.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 37' ' ' LEU . 6.1 mt -45.74 -21.62 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 32' ' ' GLN . 22.1 mtpp -63.1 -61.06 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.801 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.6 -40.69 17.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.728 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -44.35 -53.93 6.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.336 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 33' ' ' LEU . 5.9 mt -52.54 -65.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 0.0 110.96 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -57.68 -55.5 34.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.011 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.9 m -42.61 -49.68 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -73.77 -46.59 44.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.403 ' CD1' HD11 ' A' ' 81' ' ' LEU . 79.9 mt -78.52 -87.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.627 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.423 ' HA ' HD21 ' A' ' 45' ' ' LEU . 1.4 p 62.83 37.49 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.462 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.72 -46.77 0.03 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -65.84 -39.01 90.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.749 0.309 . . . . 0.0 110.621 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.423 HD21 ' HA ' ' A' ' 42' ' ' SER . 2.9 pp -68.77 -14.1 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.56 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -83.65 7.84 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.73 70.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.635 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -93.82 111.73 23.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.627 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -83.47 -62.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -67.4 179.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.571 HG13 ' N ' ' A' ' 52' ' ' ASP . 7.7 p -139.35 -45.84 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.571 ' N ' HG13 ' A' ' 51' ' ' VAL . 4.0 p30 -61.77 -41.43 97.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.653 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.28 62.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.574 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.74 -29.41 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 55' ' ' ASP . 39.1 t0 -82.87 -20.31 35.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.427 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -54.74 -54.04 47.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.412 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 58' ' ' MET . 9.8 p -58.74 -41.79 83.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.517 ' N ' HG13 ' A' ' 57' ' ' VAL . 63.3 mtt -66.22 -39.37 89.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -59.35 -34.52 72.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -51.34 -40.16 58.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.619 ' N ' HD12 ' A' ' 61' ' ' LEU . 9.6 mp -70.33 -40.15 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.66 -40.41 75.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.597 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.73 -9.85 40.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.46 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -139.04 -91.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' H ' ' HZ1' ' A' ' 30' ' ' LYS . . . 94.35 6.07 61.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -177.09 112.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.614 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.48 -155.48 25.04 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -135.4 165.56 25.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.791 0.329 . . . . 0.0 110.49 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 m -139.33 155.95 26.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -97.17 174.68 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.36 -43.45 96.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' VAL . 33.0 mt-30 -62.0 -34.05 75.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -81.02 -24.61 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.63 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.442 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.5 t80 -73.72 -38.71 64.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.483 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.11 -33.36 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.319 . . . . 0.0 110.806 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.8 t -60.54 -51.55 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.699 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.74 -49.99 75.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.437 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 74' ' ' TYR . 74.9 t -52.37 -35.8 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.662 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -20.45 29.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.731 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.33 -64.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.167 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -64.15 -20.19 65.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.973 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 58.7 m -66.95 -53.74 28.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.31 -38.38 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.61 92.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 81.1 m -94.69 10.97 32.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -89.76 111.13 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -100.26 49.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -67.73 -47.9 68.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.588 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 80.2 t80 -143.68 2.83 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -73.98 52.33 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.5 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -150.94 150.69 31.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.486 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -69.57 117.05 10.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.7 m . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.58 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.538 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 0.7 OUTLIER 84.36 125.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.57 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.11 -34.9 70.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.462 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.71 -35.39 76.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.436 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.42 -50.45 73.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.35 -21.35 39.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.729 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.79 -41.24 44.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.432 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.5 mmm -74.59 -30.73 61.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.581 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.76 -29.4 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.1 m -74.98 -34.79 62.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.03 -56.04 13.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.801 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 tt -61.36 -23.29 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.664 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -56.5 -37.76 70.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.5 t -85.33 -29.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.64 -61.92 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.784 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.524 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 4.8 p80 -58.12 -20.62 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.417 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -69.94 -50.65 39.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.689 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -79.85 -38.12 33.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.747 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -57.39 -31.41 65.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.4 36.06 4.0 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' B' ' 22' ' ' GLU . 80.0 tttt -146.08 115.45 7.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.65 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' B' ' 21' ' ' LYS . 97.4 mt-10 46.13 100.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.628 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.56 -142.49 13.79 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.53 -178.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.629 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -106.12 -20.92 13.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -143.46 12.89 1.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -128.69 132.85 48.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.457 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.599 HD11 ' OE1' ' B' ' 32' ' ' GLN . 35.3 tp -97.14 132.54 42.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 96.3 p -74.98 165.78 24.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.507 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.419 ' HZ1' ' H ' ' B' ' 65' ' ' GLY . 9.8 mtmp? -90.47 -5.54 55.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -81.18 -23.36 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.599 ' OE1' HD11 ' B' ' 28' ' ' LEU . 83.6 mt-30 -82.97 -39.48 21.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.61 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.468 ' O ' HD12 ' B' ' 37' ' ' LEU . 6.1 mt -45.81 -21.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.451 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' B' ' 32' ' ' GLN . 22.1 mtpp -63.27 -60.88 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.69 -40.54 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.753 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -44.44 -53.99 6.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.354 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 33' ' ' LEU . 5.9 mt -52.47 -65.7 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.985 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -57.84 -55.33 36.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.003 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 40.6 m -42.72 -49.56 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -73.8 -46.6 44.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.802 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 79.4 mt -78.53 -87.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.421 ' HA ' HD21 ' B' ' 45' ' ' LEU . 1.4 p 62.68 37.53 12.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.481 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.68 -46.96 0.03 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -65.78 -38.94 90.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.69 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.421 HD21 ' HA ' ' B' ' 42' ' ' SER . 2.9 pp -68.79 -14.09 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -83.71 7.83 16.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.71 70.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -93.78 111.77 23.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -83.57 -62.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -67.44 179.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.529 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.574 HG13 ' N ' ' B' ' 52' ' ' ASP . 7.7 p -139.32 -45.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.615 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.574 ' N ' HG13 ' B' ' 51' ' ' VAL . 4.0 p30 -61.63 -41.48 97.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.635 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.3 -31.21 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.74 -29.38 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 55' ' ' ASP . 39.1 t0 -82.85 -20.38 35.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -54.68 -54.04 46.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.438 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.509 HG13 ' N ' ' B' ' 58' ' ' MET . 9.8 p -58.76 -41.75 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.712 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.509 ' N ' HG13 ' B' ' 57' ' ' VAL . 63.4 mtt -66.34 -39.36 89.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.563 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.29 -34.62 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.481 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -51.33 -40.03 58.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.625 HD12 ' N ' ' B' ' 61' ' ' LEU . 9.6 mp -70.52 -40.02 73.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.634 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.72 -40.45 75.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.508 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.64 -9.97 41.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.486 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -138.9 -91.65 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.419 ' H ' ' HZ1' ' B' ' 30' ' ' LYS . . . 94.33 6.06 61.6 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -176.99 112.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.45 -155.41 24.93 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -135.5 165.56 25.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 110.448 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 m -139.35 155.99 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -97.27 174.57 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.583 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -60.28 -43.47 96.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.685 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.514 ' O ' HG23 ' B' ' 76' ' ' VAL . 33.0 mt-30 -62.01 -34.03 75.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -81.08 -24.59 37.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.594 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.446 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.5 t80 -73.69 -38.81 64.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.436 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -71.02 -33.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.759 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 72' ' ' GLN . 53.7 t -60.52 -51.72 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.649 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.6 -50.01 75.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.474 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 74' ' ' TYR . 74.7 t -52.32 -35.86 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.74 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.79 -20.57 29.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.24 -64.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.587 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -64.37 -20.09 65.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.978 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 58.9 m -66.92 -53.67 29.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.583 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.39 -38.38 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.63 93.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.498 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 80.6 m -94.71 11.03 32.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -89.86 111.05 21.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.66 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -100.2 49.63 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.538 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -67.86 -47.74 68.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' B' ' 89' ' ' PHE . 80.3 t80 -143.76 2.84 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -74.07 52.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.495 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -150.88 150.66 31.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -69.61 117.04 10.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.547 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.602 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 m -75.35 156.76 35.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.511 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -63.12 -26.63 68.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.13 -27.7 55.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.15 -56.11 19.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.732 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 t -78.94 -20.83 48.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.678 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.31 -45.97 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.48 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mmm -72.67 -30.18 64.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.568 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.08 -28.4 69.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.621 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.4 m -73.37 -30.99 63.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.09 -55.27 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.763 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.6 tt -63.01 -25.92 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -55.76 -37.98 69.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.29 -27.52 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.699 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CZ ' ' O ' ' A' ' 70' ' ' ASP . 55.8 t80 -64.96 -62.1 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.725 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.518 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.2 p80 -59.46 -23.69 62.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.453 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -68.08 -38.16 82.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.706 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -89.62 -30.57 18.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.756 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 21' ' ' LYS . 7.8 p -70.17 -20.68 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.22 16.4 4.71 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 19' ' ' SER . 24.5 mtpp -100.28 173.9 6.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.853 0.359 . . . . 0.0 110.569 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.35 146.14 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.678 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.84 -115.22 2.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -72.6 -28.55 62.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 7.7 mtpp 63.63 7.95 3.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.566 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.427 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 82.2 m-85 -154.96 -38.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.582 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -102.04 154.55 18.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.6 tp -104.07 133.38 49.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.46 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 t -61.27 -138.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -140.85 -47.38 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' O ' ' OE1' ' A' ' 35' ' ' GLU . 47.2 mtmt -66.96 -22.73 65.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.507 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -70.43 -27.6 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.794 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.07 -48.24 81.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.768 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -50.7 -25.27 4.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.577 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 10.6 mp0 -83.32 -57.36 3.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.108 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.96 -28.85 68.62 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.903 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mt -54.51 -51.95 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.136 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -72.25 -44.66 62.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.11 -43.99 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -72.7 -39.17 67.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 42' ' ' SER . 89.0 mt -90.57 -101.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.525 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 1.1 t 79.05 41.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.42 -55.91 0.02 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.495 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 56.0 m-85 -62.77 -41.98 99.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.633 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.657 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -67.89 -37.33 81.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.263 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -62.11 -13.68 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.0 65.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.06 134.92 41.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -101.29 -43.64 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.657 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -72.86 149.71 43.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.16 -59.34 3.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.462 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.79 -43.6 63.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.97 86.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.714 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.99 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.647 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.84 -20.3 35.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.395 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -58.7 -47.84 83.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.429 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 57' ' ' VAL . 2.5 p -67.21 -33.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.0 mmm -68.01 -28.98 67.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.55 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -53.7 -35.15 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.611 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 64' ' ' ASN . 86.2 mt-10 -53.1 -39.16 63.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.629 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 mt -62.48 -41.16 98.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -72.24 -46.31 56.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.437 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -74.33 -57.28 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.529 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 60' ' ' GLU . 32.9 m-80 -93.11 -117.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.48 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.19 12.62 83.02 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -147.02 71.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.513 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.78 -160.53 25.49 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -145.77 172.8 12.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.557 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.4 m -134.26 159.93 41.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.519 ' O ' ' CZ ' ' A' ' 15' ' ' PHE . 86.4 m-20 -93.41 -68.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.615 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -166.0 -42.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.679 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 76' ' ' VAL . 35.4 mt-30 -64.39 -47.86 77.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.34 -19.67 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.407 ' CZ ' HG21 ' A' ' 78' ' ' VAL . 7.8 t80 -76.07 -57.89 3.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.339 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 m -52.04 -25.95 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.665 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 72' ' ' GLN . 58.8 t -62.79 -45.11 99.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.636 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 7.6 mp -67.41 -46.67 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.498 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.407 HG21 ' CZ ' ' A' ' 74' ' ' TYR . 98.7 t -53.3 -34.59 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.732 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.63 -19.34 31.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.751 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.77 -64.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.47 -20.02 65.23 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.896 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.412 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 54.4 m -71.45 -43.68 66.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.517 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 79' ' ' ALA . 75.5 t -63.35 -33.99 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.738 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.02 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.709 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 23.6 p -93.17 -43.15 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.674 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.523 ' ND2' ' CE1' ' A' ' 88' ' ' PHE . 9.1 t-20 -39.55 116.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.703 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 89' ' ' PHE . 62.1 t30 -97.89 -72.18 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.514 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.523 ' CE1' ' ND2' ' A' ' 86' ' ' ASN . 20.0 m-85 53.42 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.62 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 46.1 t80 -151.36 17.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.64 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -87.78 18.61 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -136.69 143.39 43.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.579 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -94.01 165.18 12.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.471 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.631 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -75.37 156.77 35.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.491 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -63.12 -26.62 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.18 -27.65 55.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.22 -56.05 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.781 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -78.95 -20.84 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.656 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.32 -45.97 65.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mmm -72.63 -30.15 64.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.54 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -65.21 -28.43 69.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.1 m -73.29 -30.95 63.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.702 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.18 -55.17 13.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.405 HG21 HD13 ' B' ' 12' ' ' ILE . 3.7 tt -63.12 -25.93 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.758 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -55.76 -37.97 69.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.26 -27.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.685 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' B' ' 70' ' ' ASP . 55.4 t80 -64.91 -62.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.53 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 4.3 p80 -59.39 -23.75 62.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.652 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.457 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -68.1 -38.05 81.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.768 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -89.63 -30.62 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.417 ' C ' ' H ' ' B' ' 21' ' ' LYS . 7.8 p -70.1 -20.75 63.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.711 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.21 16.39 4.71 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' B' ' 19' ' ' SER . 24.6 mtpp -100.34 173.81 6.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 110.6 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.31 146.21 19.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.648 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.82 -115.28 2.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -72.58 -28.47 62.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 0.0 110.534 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.448 ' HZ2' ' HB3' ' B' ' 25' ' ' LYS . 7.7 mtpp 63.68 7.89 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.437 ' CG ' ' O ' ' B' ' 25' ' ' LYS . 82.1 m-85 -154.97 -38.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -102.09 154.39 19.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 46.6 tp -103.91 133.43 48.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.5 t -61.36 -138.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -140.73 -47.4 0.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.517 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.486 ' O ' ' OE1' ' B' ' 35' ' ' GLU . 47.1 mtmt -66.82 -22.89 65.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.553 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -70.39 -27.55 64.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.13 -48.22 81.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.712 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -50.59 -25.38 4.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.587 ' OE1' ' N ' ' B' ' 35' ' ' GLU . 10.6 mp0 -83.22 -57.4 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.94 -28.75 68.54 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.95 -179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -54.7 -51.8 64.41 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.117 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -72.31 -44.65 62.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.12 -43.91 91.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.73 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -72.83 -39.15 66.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' B' ' 81' ' ' LEU . 88.9 mt -90.53 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.466 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 1.0 OUTLIER 79.07 41.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.547 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.38 -55.84 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.562 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 56.0 m-85 -62.82 -41.99 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.699 0.285 . . . . 0.0 110.661 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.658 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -67.9 -37.24 81.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.303 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -62.05 -13.83 30.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.9 65.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.708 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.07 134.9 41.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.466 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.44 ' NZ ' ' O ' ' B' ' 85' ' ' CYS . 13.1 pttm -101.35 -43.66 5.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.584 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -72.83 149.75 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.518 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.17 -59.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.83 -43.51 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.698 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.99 86.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.651 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.01 -31.41 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.88 -20.26 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.364 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -58.66 -47.96 82.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.368 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.23 -33.06 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mmm -68.1 -28.88 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.604 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -53.8 -35.17 61.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' B' ' 64' ' ' ASN . 86.3 mt-10 -52.99 -39.2 62.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.647 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.45 -41.28 98.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -72.2 -46.26 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.445 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -74.36 -57.2 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.556 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' B' ' 60' ' ' GLU . 32.6 m-80 -93.18 -117.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.47 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.13 12.61 83.08 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -147.06 71.58 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.878 0.371 . . . . 0.0 110.47 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.8 -160.57 25.58 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -145.8 172.76 12.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.585 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.1 m -134.24 159.91 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.517 ' O ' ' CZ ' ' B' ' 15' ' ' PHE . 86.2 m-20 -93.44 -68.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -165.92 -42.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.625 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.539 ' O ' HG23 ' B' ' 76' ' ' VAL . 35.4 mt-30 -64.44 -47.85 77.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.717 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.25 -19.74 64.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.412 ' CZ ' HG21 ' B' ' 78' ' ' VAL . 7.8 t80 -76.13 -57.77 3.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.415 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 m -52.01 -26.11 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 72' ' ' GLN . 59.1 t -62.74 -45.06 99.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.625 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.448 ' N ' HD12 ' B' ' 77' ' ' LEU . 7.6 mp -67.36 -46.64 72.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' B' ' 74' ' ' TYR . 98.8 t -53.35 -34.64 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.693 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.493 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.5 -19.49 31.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.751 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.78 -64.7 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.28 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.575 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.56 -20.07 65.34 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.94 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.412 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 53.3 m -71.29 -43.79 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.471 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 79' ' ' ALA . 74.2 t -63.46 -33.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.591 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.04 75.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.71 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 23.4 p -93.12 -43.19 8.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.685 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.529 ' ND2' ' CE1' ' B' ' 88' ' ' PHE . 9.1 t-20 -39.54 116.37 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.648 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' B' ' 89' ' ' PHE . 61.9 t30 -97.92 -72.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.529 ' CE1' ' ND2' ' B' ' 86' ' ' ASN . 20.0 m-85 53.19 -80.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.768 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' B' ' 89' ' ' PHE . 46.2 t80 -151.42 17.64 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -87.77 18.71 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.66 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -136.73 143.28 43.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.596 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -93.97 165.22 12.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.461 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.596 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.718 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -81.76 162.11 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 52.5 mp0 -59.4 -29.19 67.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.434 HD11 HD23 ' B' ' 11' ' ' LEU . 42.9 tp -68.69 -33.79 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.29 -43.72 97.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.776 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 t -84.09 -20.99 31.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.623 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.88 -41.49 33.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.4 mmm -70.13 -34.79 73.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.59 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.27 -23.3 66.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.602 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.4 m -73.54 -35.13 65.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.669 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD23 HD11 ' B' ' 4' ' ' LEU . 11.0 mt -76.51 -44.67 34.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.642 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -63.58 -39.25 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.365 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.427 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 53.2 t-20 -56.8 -54.94 40.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.03 -32.92 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.721 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -51.37 -52.37 46.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.653 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.509 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 5.1 p80 -74.64 -23.57 58.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.707 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.482 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -65.66 -29.81 70.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.692 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -89.98 -49.21 6.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.811 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.7 t -60.46 -14.4 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.667 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.11 -58.44 2.33 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -60.37 -51.72 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.675 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -139.73 173.05 11.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.624 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.85 -169.44 40.55 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.91 169.35 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -59.52 -65.41 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -104.43 -31.37 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.728 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -82.98 176.99 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.576 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -142.48 133.24 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -84.42 173.69 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.687 -179.818 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' N ' ' OG ' ' A' ' 29' ' ' SER . 57.2 mttm -82.0 -37.56 26.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.665 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -52.58 -38.79 60.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -72.01 -37.34 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.477 HD21 ' CD1' ' A' ' 74' ' ' TYR . 7.2 mt -57.23 -59.33 5.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.668 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -47.68 -25.35 1.17 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.704 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -83.77 -57.38 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.313 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.35 -28.74 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.154 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.37 -52.52 64.27 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.451 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' SER . 85.1 mt-30 -65.82 -38.26 88.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.7 m -65.97 -48.1 72.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.57 -49.21 56.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.797 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.3 mt -76.07 -61.46 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.721 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.6 p 39.52 36.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.577 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.99 -62.89 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -49.35 -44.01 44.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.649 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.25 -26.97 66.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.453 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -78.96 4.07 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.8 -77.28 0.59 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.52 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 52.55 58.05 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -52.51 -42.82 64.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.657 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.73 179.98 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 52' ' ' ASP . 2.9 p -138.29 -41.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 51' ' ' VAL . 90.9 m-20 -63.42 -58.04 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.545 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.23 -39.81 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.579 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.49 -30.54 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.418 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -67.12 -44.02 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.696 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -53.92 -64.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.504 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 58' ' ' MET . 5.6 p -49.49 -40.01 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.607 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.417 ' N ' HG13 ' A' ' 57' ' ' VAL . 6.0 ttp -71.42 -35.44 70.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.88 -27.82 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.745 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -49.02 -37.93 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.645 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.69 -42.64 84.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.17 -40.84 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.524 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.0 -28.9 70.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -128.81 -92.18 0.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.497 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.67 14.27 42.63 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -157.34 47.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 110.546 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.63 155.61 26.65 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 mp0 -92.31 161.33 14.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -131.09 149.98 34.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -95.19 171.22 8.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.589 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.412 ' O ' HG22 ' A' ' 75' ' ' VAL . 68.8 t80 -49.51 -42.8 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.678 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.87 -46.05 83.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.783 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.76 -18.65 63.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.935 0.398 . . . . 0.0 110.245 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.477 ' CD1' HD21 ' A' ' 33' ' ' LEU . 6.1 t80 -82.18 -63.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.459 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.552 HG23 ' N ' ' A' ' 76' ' ' VAL . 28.7 m -45.22 -47.93 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.721 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.552 ' N ' HG23 ' A' ' 75' ' ' VAL . 6.8 p -63.39 -30.04 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.526 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -59.4 -46.69 87.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.446 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.36 -33.83 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.617 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -59.1 -19.56 45.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.31 -63.13 1.47 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.942 0.401 . . . . 0.0 110.187 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.831 HD23 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -54.54 -23.77 17.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.828 179.73 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.831 ' N ' HD23 ' A' ' 81' ' ' LEU . 91.3 m -75.27 -48.45 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.625 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 79' ' ' ALA . 72.5 t -64.46 -28.74 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.04 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 99.1 m -93.69 -42.23 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.571 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -77.27 96.9 4.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.773 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.431 ' HB3' ' H ' ' A' ' 91' ' ' GLU . 3.0 m120 -103.08 97.82 7.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.426 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 6.5 t80 -80.25 -18.81 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 31.0 m-85 -162.43 -7.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.529 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.412 ' H ' ' H ' ' A' ' 89' ' ' PHE . 75.4 m95 -65.75 -42.35 91.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.431 ' H ' ' HB3' ' A' ' 87' ' ' ASN . 35.5 tp10 -150.06 128.19 11.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.729 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.462 ' O ' ' O ' ' A' ' 93' ' ' SER . 47.6 t-20 42.3 53.52 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.622 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 92' ' ' ASN . 4.4 t . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.551 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -81.79 162.14 23.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.572 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 52.4 mp0 -59.32 -29.33 67.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.593 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.433 HD11 HD23 ' A' ' 11' ' ' LEU . 42.9 tp -68.59 -33.81 74.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.748 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.24 -43.81 97.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -83.93 -21.07 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.683 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.93 -41.48 33.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.554 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 73.3 mmm -70.09 -34.85 73.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.608 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.29 -23.21 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.9 m -73.53 -35.3 65.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.434 HD23 HD11 ' A' ' 4' ' ' LEU . 11.1 mt -76.37 -44.73 35.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.731 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.654 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -63.67 -39.21 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.289 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.421 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 53.2 t-20 -56.71 -55.07 38.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.811 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.98 -32.93 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.769 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -51.39 -52.23 47.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.665 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.516 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 5.1 p80 -74.75 -23.56 58.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.485 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -65.72 -29.65 70.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.759 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -90.05 -49.31 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.726 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -60.42 -14.43 18.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.663 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.14 -58.33 2.34 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -60.43 -51.65 68.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 110.668 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -139.77 173.11 11.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.654 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.81 -169.51 40.72 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.83 169.3 3.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.582 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -59.54 -65.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.718 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -104.33 -31.33 9.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -83.01 177.04 8.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -142.52 133.15 25.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.422 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' B' ' 30' ' ' LYS . 0.3 OUTLIER -84.42 173.64 10.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.787 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.47 ' N ' ' OG ' ' B' ' 29' ' ' SER . 57.2 mttm -81.93 -37.55 26.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.67 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -52.66 -38.61 60.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.653 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -72.19 -37.23 69.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.771 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.471 HD21 ' CD1' ' B' ' 74' ' ' TYR . 7.2 mt -57.24 -59.43 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.649 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -47.5 -25.48 1.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.719 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -83.74 -57.4 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.281 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.33 -28.84 68.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.169 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.19 -52.59 63.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.358 . . . . 0.0 110.432 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' B' ' 42' ' ' SER . 85.2 mt-30 -65.94 -38.19 88.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.699 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.5 m -66.1 -48.11 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.78 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -69.47 -49.3 56.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' B' ' 42' ' ' SER . 75.0 mt -76.0 -61.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.754 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.435 ' N ' ' O ' ' B' ' 38' ' ' GLN . 2.6 p 39.52 36.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.95 -62.83 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -49.3 -44.06 43.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.6 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.15 -27.17 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -78.85 4.13 14.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.622 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.82 -77.34 0.59 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.482 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 52.46 58.12 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.614 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -52.61 -42.78 64.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.88 179.94 6.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.419 HG13 ' N ' ' B' ' 52' ' ' ASP . 2.9 p -138.21 -41.89 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.499 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.419 ' N ' HG13 ' B' ' 51' ' ' VAL . 90.8 m-20 -63.49 -58.04 8.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.496 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.84 70.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.1 t -65.33 -30.55 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.485 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -67.12 -44.13 80.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -53.81 -64.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.512 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.43 HG13 ' N ' ' B' ' 58' ' ' MET . 5.6 p -49.46 -40.04 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.591 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.43 ' N ' HG13 ' B' ' 57' ' ' VAL . 6.0 ttp -71.22 -35.65 71.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.77 -27.85 67.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.756 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -49.02 -37.95 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.666 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 69.5 mt -57.67 -42.73 84.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.488 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -68.14 -40.85 82.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.01 -28.91 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.526 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -128.82 -92.11 0.47 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.437 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.55 14.48 42.77 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -157.5 47.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.58 155.62 26.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.5 mp0 -92.32 161.36 14.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.751 0.31 . . . . 0.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.8 m -131.1 149.98 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -95.19 171.27 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.505 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.415 ' O ' HG22 ' B' ' 75' ' ' VAL . 68.9 t80 -49.52 -42.86 44.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.676 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.8 -46.03 83.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.81 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.81 -18.76 63.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.228 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.471 ' CD1' HD21 ' B' ' 33' ' ' LEU . 6.3 t80 -82.03 -63.95 1.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.571 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.548 HG23 ' N ' ' B' ' 76' ' ' VAL . 28.7 m -45.22 -47.95 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.697 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.548 ' N ' HG23 ' B' ' 75' ' ' VAL . 6.8 p -63.37 -29.97 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.606 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.561 HD13 ' O ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -59.56 -46.55 88.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.472 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.46 -33.75 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.644 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.54 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -59.08 -19.71 46.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.612 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.15 -63.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.813 HD23 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -54.58 -23.71 18.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.866 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.813 ' N ' HD23 ' B' ' 81' ' ' LEU . 91.6 m -75.32 -48.39 23.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 79' ' ' ALA . 72.7 t -64.51 -28.7 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.02 72.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 98.9 m -93.65 -42.17 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -77.32 96.93 4.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.677 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.435 ' HB3' ' H ' ' B' ' 91' ' ' GLU . 3.0 m120 -103.06 97.73 7.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.483 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.475 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 6.6 t80 -80.23 -18.71 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.529 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.475 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 31.0 m-85 -162.48 -7.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -65.86 -42.31 90.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.435 ' H ' ' HB3' ' B' ' 87' ' ' ASN . 35.5 tp10 -150.03 128.14 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.759 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.472 ' O ' ' O ' ' B' ' 93' ' ' SER . 47.5 t-20 42.35 53.49 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.672 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.472 ' O ' ' O ' ' B' ' 92' ' ' ASN . 4.4 t . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -146.32 167.9 22.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.47 -27.93 67.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.652 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.3 tt -76.15 -46.22 29.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.488 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -57.93 -48.66 79.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.783 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -69.72 -20.86 63.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.609 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -55.37 -44.59 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.4 mmm -73.6 -30.51 63.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.556 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 78.0 mm-40 -65.76 -20.84 66.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.729 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -82.82 -32.42 27.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.708 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mt -67.55 -46.47 72.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.764 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 tt -66.57 -27.61 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 4.2 m120 -59.36 -39.05 82.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.671 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.504 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 93.2 t -83.56 -27.71 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.702 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -66.24 -62.16 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.542 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.3 p80 -61.43 -12.72 15.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.784 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -59.84 -54.75 42.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.78 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 2.2 p80 -87.19 -40.73 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.653 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -55.0 -31.69 61.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.7 -53.02 26.13 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -62.63 -75.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -126.17 121.69 33.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.461 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.56 -164.4 36.24 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 26' ' ' TYR . 66.3 m-20 -90.25 13.69 14.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.503 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp 57.16 -75.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.538 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' A' ' 24' ' ' ASP . 88.8 m-85 -63.1 -27.15 69.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.497 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -142.41 -172.89 3.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.517 HD21 HE21 ' A' ' 32' ' ' GLN . 3.4 tp -139.96 151.28 45.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.522 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -74.76 160.79 30.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -83.12 -22.59 33.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.598 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -56.23 -41.06 75.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.517 HE21 HD21 ' A' ' 28' ' ' LEU . 26.4 mt-30 -74.39 -29.04 61.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.684 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tp -46.01 -35.83 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.65 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.04 -65.95 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' ' OG1' ' A' ' 39' ' ' THR . 55.3 mp0 -66.41 -42.37 87.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.62 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -47.92 -36.65 12.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.293 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.65 -65.26 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.659 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.406 ' HG2' HD13 ' A' ' 45' ' ' LEU . 65.7 mt-30 -64.09 -51.91 61.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 25.7 m -40.73 -45.25 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.788 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.17 -47.09 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD1' HD11 ' A' ' 81' ' ' LEU . 88.1 mt -74.74 -99.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.545 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.44 ' H ' HD21 ' A' ' 45' ' ' LEU . 1.5 t 74.16 37.39 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.634 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.38 -44.38 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 58.2 m-85 -69.81 -27.78 65.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.585 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -82.47 -4.34 57.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.485 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -85.15 13.19 6.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.59 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.96 -77.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 57.3 51.87 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.609 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -59.38 -37.47 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.95 175.11 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 52' ' ' ASP . 7.0 p -137.61 -42.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.473 ' N ' HG13 ' A' ' 51' ' ' VAL . 90.1 m-20 -61.03 -45.9 92.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.514 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.59 -37.97 73.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.42 -23.81 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.532 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -76.3 -37.5 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -61.16 -56.8 16.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.626 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 58' ' ' MET . 12.2 p -55.41 -38.1 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.524 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.443 ' N ' HG13 ' A' ' 57' ' ' VAL . 33.6 tpp -77.26 -34.07 55.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.98 -34.0 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.583 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -53.47 -44.14 68.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.578 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.41 -35.22 73.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.608 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.14 -37.63 87.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.06 -74.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -149.88 106.1 3.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.08 20.01 45.7 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.71 102.63 10.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.05 -161.2 33.85 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.427 ' CD ' ' OD2' ' A' ' 24' ' ' ASP . 94.0 mt-10 -138.5 143.14 39.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 110.559 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 28' ' ' LEU . 16.1 m -84.42 175.83 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.593 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 72' ' ' GLN . 55.9 p30 -147.37 54.05 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.698 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 74' ' ' TYR . 40.5 t80 60.73 -70.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.716 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' A' ' 70' ' ' ASP . 34.2 mt-30 -47.36 -37.67 11.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.0 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -82.63 -18.72 40.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.701 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.581 ' O ' HG23 ' A' ' 78' ' ' VAL . 4.2 t80 -89.49 -33.15 16.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.6 m -77.69 -36.05 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 77' ' ' LEU . 6.2 p -66.95 -42.0 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.668 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.503 ' N ' HG13 ' A' ' 76' ' ' VAL . 90.6 mt -64.87 -38.57 91.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.686 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 74' ' ' TYR . 45.2 t -57.37 -31.01 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.702 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.51 30.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.186 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.38 -19.85 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.965 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 94.1 m -61.18 -54.76 40.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.644 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.2 t -66.33 -31.13 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.18 -39.32 69.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.701 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.541 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 3.2 m -102.92 -56.94 2.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.731 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' CYS . 51.9 t-20 -36.6 132.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.694 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -121.0 88.53 2.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -85.78 -77.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.679 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.4 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -146.33 167.96 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.303 . . . . 0.0 110.599 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.54 -27.84 67.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.653 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.3 tt -76.26 -46.19 29.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.473 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -57.89 -48.67 79.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.762 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -69.77 -20.87 63.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.63 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -55.38 -44.56 76.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.5 mmm -73.64 -30.52 62.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.553 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 77.9 mm-40 -65.8 -20.82 66.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.713 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -82.82 -32.36 27.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.751 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mt -67.57 -46.5 72.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.793 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 tt -66.46 -27.72 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.748 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 4.2 m120 -59.26 -39.1 81.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.656 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.502 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 92.8 t -83.57 -27.65 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.726 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -66.31 -62.1 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.757 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.535 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.4 p80 -61.4 -12.79 15.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.772 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -59.78 -54.8 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.753 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' B' ' 14' ' ' VAL . 2.2 p80 -87.17 -40.67 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -55.1 -31.66 61.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.589 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.61 -53.09 26.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -62.61 -75.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.571 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -126.17 121.69 33.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 -164.44 36.27 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' B' ' 26' ' ' TYR . 66.2 m-20 -90.17 13.59 14.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.744 0.306 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp 57.22 -75.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.557 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.576 ' N ' ' O ' ' B' ' 24' ' ' ASP . 88.7 m-85 -63.16 -27.15 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.494 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -142.4 -172.82 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.435 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.513 HD21 HE21 ' B' ' 32' ' ' GLN . 3.4 tp -140.02 151.3 45.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -74.78 160.85 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.652 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -83.13 -22.59 33.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' B' ' 31' ' ' LYS . 0.4 OUTLIER -56.3 -40.96 75.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.513 HE21 HD21 ' B' ' 28' ' ' LEU . 26.5 mt-30 -74.4 -29.11 61.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tp -45.95 -35.91 5.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.621 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.04 -65.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.454 ' O ' ' OG1' ' B' ' 39' ' ' THR . 55.2 mp0 -66.41 -42.39 87.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 110.61 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.8 tp -48.01 -36.55 13.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.305 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.76 -65.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.67 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -64.02 -51.95 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 25.9 m -40.75 -45.28 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.17 -47.05 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.464 ' CD1' HD11 ' B' ' 81' ' ' LEU . 88.3 mt -74.78 -99.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.514 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.442 ' H ' HD21 ' B' ' 45' ' ' LEU . 1.5 t 74.18 37.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.655 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.35 -44.34 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.522 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 58.1 m-85 -69.84 -27.79 65.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.32 . . . . 0.0 110.563 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.607 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -82.49 -4.26 57.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.496 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -85.21 13.21 6.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.59 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.02 -77.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 57.29 51.86 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.644 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -59.41 -37.44 78.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.583 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.9 175.04 10.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.484 HG13 ' N ' ' B' ' 52' ' ' ASP . 7.0 p -137.58 -42.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.484 ' N ' HG13 ' B' ' 51' ' ' VAL . 90.1 m-20 -61.01 -45.85 93.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.58 -38.05 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.45 -23.76 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' B' ' 59' ' ' LYS . 39.3 t0 -76.37 -37.44 57.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.589 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -61.15 -56.77 16.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.434 HG13 ' N ' ' B' ' 58' ' ' MET . 12.2 p -55.4 -38.14 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.434 ' N ' HG13 ' B' ' 57' ' ' VAL . 33.6 tpp -77.22 -34.09 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.587 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' B' ' 55' ' ' ASP . 76.1 tttt -57.97 -33.98 69.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.603 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -53.51 -44.17 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.6 mt -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.15 -37.68 88.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.614 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.97 -74.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.495 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 0.2 OUTLIER -149.89 106.11 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.613 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.13 20.04 45.69 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.76 102.62 10.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.764 0.316 . . . . 0.0 110.541 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.05 -161.25 33.91 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.424 ' CD ' ' OD2' ' B' ' 24' ' ' ASP . 94.1 mt-10 -138.48 143.2 39.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.495 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.437 HG22 ' O ' ' B' ' 28' ' ' LEU . 16.1 m -84.44 175.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' B' ' 72' ' ' GLN . 55.9 p30 -147.42 54.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 40.8 t80 60.75 -70.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.72 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' B' ' 70' ' ' ASP . 34.2 mt-30 -47.46 -37.64 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.025 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -82.63 -18.67 40.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.593 ' O ' HG23 ' B' ' 78' ' ' VAL . 4.3 t80 -89.48 -33.18 16.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.404 HG23 ' N ' ' B' ' 76' ' ' VAL . 22.6 m -77.66 -36.07 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.608 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.504 HG13 ' N ' ' B' ' 77' ' ' LEU . 6.2 p -66.92 -42.01 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.704 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.504 ' N ' HG13 ' B' ' 76' ' ' VAL . 90.6 mt -64.86 -38.6 91.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 74' ' ' TYR . 45.5 t -57.38 -31.02 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.732 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.7 -19.67 30.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.81 -64.78 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.184 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.595 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.38 -19.93 65.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.004 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 94.1 m -61.14 -54.74 40.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.7 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.4 t -66.33 -31.16 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.623 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.37 69.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 3.2 m -102.88 -56.93 2.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.695 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' B' ' 85' ' ' CYS . 52.0 t-20 -36.64 132.34 0.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.664 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -121.01 88.52 2.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -85.77 -77.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.688 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 38.4 t80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.597 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -83.97 153.41 23.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 0.0 110.549 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.13 -33.79 73.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.1 tp -69.66 -34.0 73.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.616 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' B' ' 41' ' ' LEU . 95.6 mt-10 -60.86 -50.2 74.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.713 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -78.65 -20.71 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.76 -43.17 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.527 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 84.7 mmm -75.77 -33.7 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.493 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 95.2 mt-10 -63.79 -28.95 70.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.61 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.8 m -74.97 -30.15 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.51 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.92 -51.37 22.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -64.49 -27.31 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 78.1 m-20 -54.54 -37.76 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.566 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 t -85.37 -25.64 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.559 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.72 -59.46 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.622 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.515 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 5.2 p80 -64.49 -20.14 66.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.51 77.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.733 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -79.67 -48.0 14.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.656 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.7 t -55.65 -34.35 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.77 -4.56 14.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -93.16 -132.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.518 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -80.38 158.39 26.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.64 -167.71 31.24 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.22 134.19 50.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.587 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' CD ' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -86.7 -24.85 25.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.96 -39.39 72.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -143.35 158.42 43.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.552 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.459 ' CG ' ' H ' ' A' ' 29' ' ' SER . 4.1 tp -93.55 -142.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.438 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.459 ' H ' ' CG ' ' A' ' 28' ' ' LEU . 74.2 p -154.07 174.17 15.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.565 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.25 -31.82 15.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.82 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 1.9 mptp? -57.72 -57.32 13.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.647 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -64.15 -32.95 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.742 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -54.47 -45.33 73.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.657 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 37' ' ' LEU . 87.1 tttt -63.64 -25.29 68.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -80.07 -50.16 10.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 pp -74.92 -24.12 58.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.981 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 34' ' ' LYS . 4.3 mt -51.76 -58.34 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.278 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.563 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.9 pt20 -69.43 -46.91 65.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.74 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -54.21 -46.21 72.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.776 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.97 -43.48 65.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 74.4 mt -86.2 -73.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.639 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.563 ' N ' ' O ' ' A' ' 38' ' ' GLN . 5.7 t 50.17 60.78 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.476 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.77 -51.78 0.03 OUTLIER Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -62.18 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.626 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.58 -21.48 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.632 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.27 -8.52 55.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.666 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.63 85.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.732 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -98.25 109.25 22.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.433 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -66.55 -49.23 67.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.625 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -95.04 -173.03 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 52' ' ' ASP . 14.6 p -143.9 -35.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.606 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 51' ' ' VAL . 10.8 p-10 -60.32 -41.6 93.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.506 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.01 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.489 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.9 t -70.0 -30.68 45.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -74.67 -39.67 61.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.668 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' NZ ' ' CB ' ' A' ' 56' ' ' LYS . 9.4 mtpm? -58.52 -53.03 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.706 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.01 -39.8 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.7 mtt -72.33 -40.15 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -59.76 -34.35 72.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -45.53 -39.36 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.8 -47.61 85.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.479 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -65.85 -41.26 91.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.648 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -63.8 -34.03 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.6 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.65 88.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.41 51.68 0.92 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -87.68 -16.13 35.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.523 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 89.44 -152.04 22.34 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 67' ' ' GLY . 50.2 mt-10 57.09 117.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.757 0.313 . . . . 0.0 110.637 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.4 134.98 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.9 t0 -94.48 161.43 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.525 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 78.9 t80 -53.55 -43.05 68.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.671 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.431 ' O ' HG23 ' A' ' 76' ' ' VAL . 35.8 mt-30 -66.99 -47.26 72.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.682 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.74 -22.61 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.25 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -71.12 -52.74 17.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 72' ' ' GLN . 17.9 m -59.09 -27.36 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.625 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' B' ' 76' ' ' VAL . 53.8 t -67.06 -51.1 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.464 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.12 -42.92 95.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.654 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.7 t -59.61 -31.75 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.95 -19.48 30.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.93 -65.02 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.127 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -62.32 -20.02 63.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.736 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.0 m -68.87 -56.73 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.547 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.19 -27.64 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -13.01 21.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 86' ' ' ASN . 53.2 t -126.32 -33.19 2.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.666 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 85' ' ' CYS . 14.1 t-20 -36.91 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.555 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.2 m120 57.07 55.47 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.579 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -69.24 -72.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.543 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.63 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -83.97 153.39 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.13 -33.72 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.63 -33.98 73.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 41' ' ' LEU . 95.6 mt-10 -60.8 -50.31 73.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.673 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t -78.59 -20.87 49.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.631 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.75 -43.06 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.512 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 84.7 mmm -75.87 -33.76 60.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.449 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 95.3 mt-10 -63.72 -29.01 70.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.634 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.6 m -74.92 -30.17 61.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.9 -51.38 22.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.756 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -64.51 -27.34 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.685 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 77.9 m-20 -54.58 -37.77 65.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.537 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.5 t -85.29 -25.65 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.628 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.74 -59.43 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.498 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 5.2 p80 -64.49 -20.07 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.58 77.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -79.56 -47.96 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.683 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.0 t -55.81 -34.22 65.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.79 -4.59 14.73 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -93.17 -132.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -80.47 158.43 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.476 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.64 -167.73 31.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.25 134.2 50.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.602 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.522 ' CD ' ' H ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -86.77 -24.73 24.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.552 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.99 -39.43 72.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.528 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -143.37 158.36 43.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.603 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.448 ' CG ' ' H ' ' B' ' 29' ' ' SER . 4.1 tp -93.4 -142.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.576 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.448 ' H ' ' CG ' ' B' ' 28' ' ' LEU . 75.1 p -154.07 174.2 15.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.524 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.25 -31.91 15.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.767 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' B' ' 31' ' ' LYS . 1.9 mptp? -57.64 -57.35 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.672 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -64.27 -32.88 74.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.76 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -54.42 -45.36 72.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.614 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.473 ' HA ' HD12 ' B' ' 37' ' ' LEU . 87.1 tttt -63.56 -25.47 68.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.538 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -79.94 -50.11 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.006 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 pp -74.95 -24.14 58.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.958 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' B' ' 34' ' ' LYS . 4.3 mt -51.83 -58.29 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.249 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' B' ' 42' ' ' SER . 10.0 pt20 -69.52 -46.83 65.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.742 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -54.16 -46.25 72.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.771 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -71.93 -43.56 65.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.407 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 74.6 mt -86.24 -73.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.599 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.556 ' N ' ' O ' ' B' ' 38' ' ' GLN . 5.7 t 50.22 60.84 3.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.47 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.82 -51.79 0.03 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -62.24 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.582 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.6 -21.47 66.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.643 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.29 -8.47 55.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.68 85.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.692 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -98.35 109.31 22.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -66.54 -49.31 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -95.02 -173.1 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.615 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.413 HG13 ' N ' ' B' ' 52' ' ' ASP . 14.6 p -143.92 -35.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.58 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.413 ' N ' HG13 ' B' ' 51' ' ' VAL . 10.7 p-10 -60.22 -41.63 93.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.07 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.9 -30.64 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.584 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -74.72 -39.55 61.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.706 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.409 ' NZ ' ' CB ' ' B' ' 56' ' ' LYS . 9.4 mtpm? -58.66 -53.0 63.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.678 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.02 -39.86 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 51.5 mtt -72.29 -40.15 67.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.587 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -59.74 -34.23 72.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.602 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -45.65 -39.37 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.88 -47.46 86.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -66.0 -41.22 91.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -63.88 -33.94 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.6 88.29 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.714 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.5 51.77 0.91 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -87.75 -16.15 35.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.493 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 89.51 -152.01 22.29 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' B' ' 67' ' ' GLY . 50.2 mt-10 57.15 117.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.585 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.35 135.04 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.9 t0 -94.58 161.36 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.542 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.523 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 78.3 t80 -53.44 -43.13 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG23 ' B' ' 76' ' ' VAL . 35.7 mt-30 -66.87 -47.29 72.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.769 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.71 -22.56 63.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.97 0.414 . . . . 0.0 110.257 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -71.27 -52.67 17.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.417 HG22 ' O ' ' B' ' 72' ' ' GLN . 18.0 m -59.02 -27.5 36.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 54.2 t -67.0 -51.04 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.17 -42.96 96.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 71.9 t -59.56 -31.92 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.51 30.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.04 -64.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.108 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.597 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -62.42 -20.09 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.711 0.291 . . . . 0.0 110.701 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.4 m -68.83 -56.67 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.61 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 91.7 t -58.17 -27.67 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.05 -13.09 22.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' B' ' 86' ' ' ASN . 53.3 t -126.27 -33.18 2.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.632 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' B' ' 85' ' ' CYS . 14.0 t-20 -36.88 -77.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.3 m120 57.08 55.45 6.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -69.21 -72.84 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.499 ' HG ' ' CD ' ' A' ' 5' ' ' GLU . 28.9 p -149.06 172.33 14.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.622 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.25 -26.52 66.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.682 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.8 tp -74.18 -33.89 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.603 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.568 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 0.4 OUTLIER -62.68 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.757 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 t -81.31 -20.9 39.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.696 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.02 -43.79 66.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.53 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 79.0 mmm -73.46 -30.95 63.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.02 -30.51 71.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.1 m -78.4 -32.53 48.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.651 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.79 -53.12 44.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.711 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 tt -61.33 -24.53 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -58.02 -37.29 74.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.9 t -85.48 -27.95 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.765 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.59 -59.34 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.6 p80 -62.48 -22.79 66.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.728 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.439 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -63.91 -42.29 97.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.698 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -91.47 -24.82 19.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.69 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.1 p -61.0 -27.09 68.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.53 -161.31 27.26 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt 49.22 -111.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.757 0.313 . . . . 0.0 110.61 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -82.76 164.97 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.18 -148.74 19.31 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -85.86 -178.34 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.86 0.362 . . . . 0.0 110.632 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.36 -48.56 69.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.694 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -141.52 3.93 1.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.943 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -106.26 131.82 53.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.468 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.527 ' O ' HG22 ' A' ' 69' ' ' VAL . 4.6 tp -95.4 145.52 25.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.498 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.447 ' HA ' ' H ' ' A' ' 68' ' ' GLU . 85.7 p -97.88 154.48 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.455 ' H ' ' HA2' ' A' ' 67' ' ' GLY . 67.4 mttm -57.99 -27.38 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.65 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -58.12 -27.2 63.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.413 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -76.88 -44.42 32.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.729 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.439 HD13 HD13 ' A' ' 77' ' ' LEU . 6.5 mt -48.1 -21.44 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.382 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -64.52 -62.16 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -79.22 -44.6 21.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.587 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tp -46.15 -57.3 4.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.508 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 37' ' ' LEU . 29.1 mt -43.95 -64.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.234 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.32 -52.23 62.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.849 0.357 . . . . 0.0 111.081 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.4 m -42.79 -46.4 5.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.247 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -91.15 -50.31 5.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.971 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.524 ' O ' HD21 ' A' ' 45' ' ' LEU . 56.6 mt -96.61 97.27 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.468 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 p -128.29 16.55 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.588 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.85 -36.34 1.71 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -66.78 -47.21 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.656 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.621 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -73.22 -13.88 61.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.39 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.67 -33.47 76.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.393 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' GLN . . . -103.09 -44.13 5.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.615 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' ALA . 2.7 pt20 32.49 79.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.973 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -57.76 -40.54 79.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.652 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -103.68 -172.5 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.13 -47.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.69 -42.39 67.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.692 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -44.82 80.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.66 -27.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.663 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -76.72 -37.77 55.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.665 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -61.29 -50.06 74.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.38 -41.44 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.691 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.0 ttp -77.06 -32.56 56.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.615 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' ASP . 52.1 tttp -65.81 -51.18 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.477 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -45.85 -31.01 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.224 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.63 -34.99 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.45 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' LYS . 91.1 m-20 -66.69 -36.79 83.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.785 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.93 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.472 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 1.6 p30 -93.39 -73.82 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.614 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . 51.14 26.58 12.8 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.68 -75.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.731 0.3 . . . . 0.0 110.582 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 156.18 -178.1 32.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 67' ' ' GLY . 49.4 mt-10 54.62 113.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 110.81 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 28' ' ' LEU . 3.9 m -140.57 153.27 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.502 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -93.18 159.79 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.68 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -55.36 -36.05 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.654 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' VAL . 31.0 mt-30 -62.04 -40.49 95.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.728 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -72.73 -31.27 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 0.0 110.454 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -63.57 -51.28 66.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.394 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 m -60.16 -31.31 47.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.55 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 72' ' ' GLN . 46.8 t -63.88 -55.35 22.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.52 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.439 HD13 HD13 ' A' ' 33' ' ' LEU . 13.9 mt -57.46 -42.35 82.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.664 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.464 ' O ' ' OG1' ' A' ' 82' ' ' THR . 56.0 t -57.32 -33.36 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.54 -19.54 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -64.76 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.224 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.575 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -64.24 -19.91 65.69 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.86 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 90.4 m -66.37 -53.69 33.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.709 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.27 -24.97 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.549 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.88 -35.65 77.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.799 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.2 t -102.74 -20.99 14.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.668 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.574 HD22 ' C ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -47.28 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.654 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.4 m120 56.39 46.23 21.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -65.56 -77.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.665 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.698 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.481 ' HG ' ' CD ' ' B' ' 5' ' ' GLU . 29.3 p -148.97 172.44 14.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.633 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.4 -26.44 66.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 58.4 tp -74.21 -33.88 63.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.593 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.572 ' OE1' ' N ' ' B' ' 5' ' ' GLU . 0.4 OUTLIER -62.76 -43.18 99.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.728 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.3 t -81.44 -20.83 39.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.653 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.09 -43.78 67.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.492 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 79.0 mmm -73.52 -30.92 63.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.439 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.14 -30.43 71.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.531 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 76.4 m -78.49 -32.46 48.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -65.87 -53.16 43.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 tt -61.3 -24.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -58.11 -37.18 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.751 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.55 -27.93 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.752 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -65.6 -59.43 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.799 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.532 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.6 p80 -62.44 -22.75 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.77 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.435 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -64.04 -42.19 97.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -91.5 -24.86 19.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.653 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.2 p -60.94 -27.11 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.61 -161.29 27.42 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt 49.18 -111.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 0.0 110.519 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -82.74 164.92 20.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.21 -148.75 19.31 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -85.8 -178.41 6.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.35 . . . . 0.0 110.626 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.34 -48.55 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.668 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -141.57 3.92 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.909 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -106.28 131.7 53.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 110.523 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.517 ' O ' HG22 ' B' ' 69' ' ' VAL . 4.6 tp -95.25 145.53 25.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.494 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.445 ' HA ' ' H ' ' B' ' 68' ' ' GLU . 85.7 p -97.94 154.35 17.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.601 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.461 ' H ' ' HA2' ' B' ' 67' ' ' GLY . 67.4 mttm -57.97 -27.33 63.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.681 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -58.02 -27.27 63.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.435 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -76.94 -44.45 31.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.65 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.443 HD13 HD13 ' B' ' 77' ' ' LEU . 6.5 mt -48.04 -21.5 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.416 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -64.55 -62.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.609 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -79.18 -44.69 21.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tp -46.18 -57.24 4.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.49 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.408 HD12 ' O ' ' B' ' 33' ' ' LEU . 29.1 mt -44.05 -64.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.156 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.39 -52.15 62.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.774 0.321 . . . . 0.0 111.075 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.5 m -42.87 -46.39 5.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.186 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -91.1 -50.38 5.88 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.961 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.529 ' O ' HD21 ' B' ' 45' ' ' LEU . 56.6 mt -96.58 97.15 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.534 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.8 p -128.27 16.67 6.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.91 -36.27 1.71 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -66.73 -47.27 72.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.626 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.605 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -73.23 -13.93 61.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.338 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.62 -33.45 75.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.415 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' B' ' 48' ' ' GLN . . . -103.09 -44.16 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' B' ' 47' ' ' ALA . 2.7 pt20 32.35 80.03 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.925 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.434 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.7 OUTLIER -57.82 -40.52 80.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.639 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -103.73 -172.48 2.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.612 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.12 -47.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.81 -42.38 68.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.617 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.7 -44.86 80.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.68 -27.14 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -76.59 -37.88 55.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.721 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -61.34 -49.93 74.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.49 -41.35 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.664 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 63.9 ttp -77.04 -32.63 57.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.663 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' B' ' 62' ' ' ASP . 52.2 tttp -65.75 -51.16 61.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.585 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -45.88 -30.92 1.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.272 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.72 -35.02 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.393 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' B' ' 59' ' ' LYS . 91.3 m-20 -66.57 -36.87 83.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.752 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.85 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.686 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.473 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 1.6 p30 -93.41 -73.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.473 ' H ' ' CG ' ' B' ' 64' ' ' ASN . . . 51.21 26.59 13.41 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -66.62 -75.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 156.3 -178.15 32.94 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' B' ' 67' ' ' GLY . 49.4 mt-10 54.67 113.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.742 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.517 HG22 ' O ' ' B' ' 28' ' ' LEU . 4.0 m -140.58 153.18 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -93.14 159.83 15.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.729 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -55.35 -36.2 66.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.582 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.503 ' O ' HG23 ' B' ' 76' ' ' VAL . 31.0 mt-30 -61.94 -40.53 95.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.702 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -72.75 -31.31 64.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.418 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.54 -51.38 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.1 m -60.05 -31.26 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.619 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 72' ' ' GLN . 47.0 t -63.93 -55.29 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.53 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.443 HD13 HD13 ' B' ' 33' ' ' LEU . 13.8 mt -57.51 -42.36 82.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.567 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.439 ' O ' ' OG1' ' B' ' 82' ' ' THR . 55.7 t -57.34 -33.46 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.742 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.38 -19.56 31.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.96 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.24 -64.65 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.211 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.576 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -64.25 -20.0 65.76 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.879 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 90.1 m -66.3 -53.8 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.673 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.22 -25.0 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.563 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.81 -35.69 77.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.768 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -102.66 -20.91 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.753 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.574 HD22 ' C ' ' B' ' 86' ' ' ASN . 0.3 OUTLIER -47.43 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.612 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 34.5 m120 56.43 46.18 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.523 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -65.57 -77.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.648 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -142.37 159.61 41.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.331 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.93 -32.09 71.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.677 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.8 tt -78.48 -42.95 28.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.402 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.84 -42.98 94.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.728 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -77.23 -20.77 54.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.611 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.27 -47.9 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.441 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.8 mmm -70.23 -32.03 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 69.3 mm-40 -65.34 -19.54 66.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -79.89 -45.73 18.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.9 -43.43 83.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.511 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.63 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.52 -42.21 93.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.26 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.1 m120 -54.77 -43.48 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.3 t -76.25 -33.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -54.96 -53.77 51.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.738 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.523 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.4 p80 -71.44 -23.45 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.68 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.488 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -58.93 -38.82 79.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -88.87 -47.32 8.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.7 m -60.82 -39.75 90.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.592 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.78 -32.88 80.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -52.06 149.43 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.521 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -41.45 117.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.478 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.14 -119.53 1.04 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 90.8 m-20 -60.14 158.56 11.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.583 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -84.6 -62.08 1.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.674 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -136.77 24.13 3.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.675 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 46.8 mmtt -130.2 137.38 50.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.717 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 tp -98.26 135.03 40.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -77.51 168.72 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.611 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -86.5 -40.6 15.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.769 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -53.43 -44.44 68.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.608 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.62 -30.04 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 77' ' ' LEU . 6.0 tp -52.81 -50.01 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.626 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.26 -25.5 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.804 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.0 mt-10 -79.17 -41.03 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.54 -26.48 30.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.989 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.23 -57.38 12.04 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HG2' HD13 ' A' ' 45' ' ' LEU . 71.5 mt-30 -68.69 -45.88 70.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 11.0 m -55.86 -46.27 78.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.78 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -73.83 -36.53 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.645 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 42' ' ' SER . 79.6 mt -93.15 -103.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 1.4 p 81.68 33.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.626 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.64 -55.39 0.04 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -57.47 -35.83 70.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.568 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.602 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -80.21 -28.15 38.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -73.4 0.41 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.601 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.54 42.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -70.02 125.79 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.617 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -96.09 -48.64 5.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.542 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -79.25 161.95 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.715 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.4 -35.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.354 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -69.0 -58.12 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.496 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.86 -31.18 66.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.491 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 57' ' ' VAL . 74.8 t -71.16 -22.08 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.649 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -80.36 -37.0 33.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -48.18 -51.45 25.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.709 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 54' ' ' VAL . 4.5 p -53.4 -34.68 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.902 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.7 mtt -73.91 -35.02 64.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.805 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -52.76 -58.79 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.522 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -49.91 -32.7 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.387 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.48 -45.32 65.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.439 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 59.3 t0 -71.43 -38.08 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.605 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -58.16 -32.4 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.41 -103.74 0.41 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.515 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.63 3.46 68.78 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -150.07 71.5 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -173.99 176.87 46.43 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -106.32 175.85 5.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.8 146.7 30.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.24 168.56 11.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -58.97 -38.48 79.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.761 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 76' ' ' VAL . 31.2 mt-30 -70.67 -47.5 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.795 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 1.5 mp0 -70.65 -20.4 62.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 0.0 110.261 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -73.33 -52.96 12.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 72' ' ' GLN . 20.1 m -58.15 -29.76 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.613 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.1 t -63.27 -51.72 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.613 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 33' ' ' LEU . 98.6 mt -57.73 -42.37 83.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.556 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 65.7 t -62.23 -31.17 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.629 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.72 -19.3 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.59 -64.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.75 -19.84 65.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.967 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' ASN . 57.4 m -71.12 -52.01 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.708 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 79' ' ' ALA . 92.4 t -58.77 -36.82 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.665 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.49 95.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.8 m -92.24 -6.18 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 82' ' ' THR . 41.8 t30 -64.26 137.97 58.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.639 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -133.45 36.55 3.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -55.59 -41.76 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.5 t80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -142.33 159.66 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.609 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.93 -32.18 71.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.681 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.8 tt -78.5 -42.91 28.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.443 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -59.83 -42.94 94.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.719 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.1 t -77.23 -20.87 54.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.26 -47.86 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.412 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.9 mmm -70.32 -31.97 69.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 69.3 mm-40 -65.27 -19.66 66.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.533 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -79.95 -45.65 18.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.496 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.6 mt -66.97 -43.35 83.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.619 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -61.62 -42.21 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.148 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.457 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 3.1 m120 -54.74 -43.46 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.527 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 74.8 t -76.31 -33.43 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.87 -53.83 50.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.752 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.53 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.4 p80 -71.35 -23.44 61.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.711 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.484 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.02 -38.8 80.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.467 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -88.78 -47.4 8.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.8 m -60.8 -39.81 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.8 -32.78 80.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -51.89 149.36 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 110.574 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -41.54 117.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.499 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.13 -119.45 1.03 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' B' ' 27' ' ' LYS . 90.8 m-20 -60.12 158.49 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.628 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -84.55 -62.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.709 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -136.79 24.2 3.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.607 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' B' ' 24' ' ' ASP . 46.8 mmtt -130.33 137.34 49.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.639 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.3 tp -98.23 135.09 40.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.469 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -77.65 168.78 19.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.653 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -86.45 -40.74 15.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -53.44 -44.43 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.53 -30.08 70.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.584 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' B' ' 77' ' ' LEU . 6.0 tp -52.85 -50.07 64.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.15 -25.63 66.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.765 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -79.2 -40.99 29.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.014 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.54 -26.47 30.1 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.005 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.22 -57.42 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.365 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -68.65 -45.93 70.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 11.2 m -55.87 -46.16 78.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.773 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -73.97 -36.47 64.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.587 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' B' ' 42' ' ' SER . 79.5 mt -93.07 -103.84 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 1.4 p 81.64 33.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.62 -55.55 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -57.35 -35.86 70.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.603 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -80.24 -28.05 38.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.492 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -73.39 0.31 12.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.5 42.1 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.53 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -69.98 125.81 27.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.556 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -96.09 -48.6 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -79.31 161.88 25.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.63 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.32 -35.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.358 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 0.9 OUTLIER -68.96 -58.16 4.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.436 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.97 -31.07 66.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.521 ' O ' HG12 ' B' ' 57' ' ' VAL . 76.5 t -71.02 -22.34 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.688 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -80.23 -36.95 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.997 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -48.14 -51.42 24.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.521 HG12 ' O ' ' B' ' 54' ' ' VAL . 4.5 p -53.4 -34.76 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.89 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 58.7 mtt -73.82 -35.08 64.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -52.71 -58.86 5.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -49.82 -32.7 14.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.411 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.56 -45.16 65.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.434 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 59.4 t0 -71.65 -38.02 70.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -58.09 -32.42 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.6 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.43 -103.75 0.41 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.64 3.41 68.81 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -150.01 71.49 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.766 0.317 . . . . 0.0 110.485 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -173.99 176.85 46.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -106.33 175.82 5.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.768 0.318 . . . . 0.0 110.624 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.76 146.71 30.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -91.22 168.57 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.531 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.92 -38.44 78.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.469 ' O ' HG23 ' B' ' 76' ' ' VAL . 31.2 mt-30 -70.82 -47.35 59.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.769 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.419 ' CD ' ' N ' ' B' ' 73' ' ' GLU . 1.5 mp0 -70.81 -20.41 62.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.98 0.419 . . . . 0.0 110.185 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -73.3 -52.92 12.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.363 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 72' ' ' GLN . 19.8 m -58.19 -29.74 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.644 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 72' ' ' GLN . 55.0 t -63.15 -51.78 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.459 HD13 ' CD2' ' B' ' 33' ' ' LEU . 98.3 mt -57.71 -42.4 83.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.523 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 65.7 t -62.21 -31.23 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.666 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.427 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.6 -19.38 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.52 -64.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.275 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.565 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.8 -19.97 65.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.908 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.404 ' O ' ' N ' ' B' ' 86' ' ' ASN . 58.2 m -71.12 -51.97 21.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.669 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 79' ' ' ALA . 92.6 t -58.79 -36.81 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.652 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.36 -40.53 96.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.729 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 83.9 m -92.29 -6.08 51.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.701 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' B' ' 82' ' ' THR . 41.8 t30 -64.27 138.01 58.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.69 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -133.5 36.51 3.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -55.52 -41.81 73.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.622 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -69.48 162.12 28.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.332 . . . . 0.0 110.641 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.72 -28.34 69.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -72.61 -30.28 64.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.651 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -67.16 -52.84 36.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.675 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.43 -21.39 63.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.87 76.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.3 mmm -73.98 -31.65 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.542 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.23 -27.25 68.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.642 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.9 m -78.5 -41.1 33.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.729 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.33 -54.44 45.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 13' ' ' ASN . 17.8 tt -59.18 -39.25 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.67 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.447 ' N ' HG23 ' A' ' 12' ' ' ILE . 47.6 t30 -49.21 -37.6 23.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -80.71 -37.09 16.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.562 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -65.4 -60.53 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.529 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.07 -30.89 62.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.439 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.38 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -80.07 -37.24 34.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -66.58 -25.16 66.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.02 93.12 1.59 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -147.66 -96.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -157.96 35.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.53 -139.75 3.51 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.37 86.53 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.738 0.304 . . . . 0.0 110.603 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -69.97 -17.32 63.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.619 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -69.73 -26.45 64.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -142.07 -167.42 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 tp -140.39 149.99 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.624 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.4 p -74.84 170.28 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.619 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -88.82 -33.79 17.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -60.44 -51.58 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.786 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -64.69 -26.66 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.746 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.684 ' O ' HD23 ' A' ' 33' ' ' LEU . 1.3 tt -55.02 -38.31 67.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.566 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -77.3 -25.55 51.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.7 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -70.73 -43.47 68.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.076 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 pp -77.88 -33.3 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.027 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.72 -58.86 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.485 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.53 -49.35 66.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.7 m -55.45 -45.9 76.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.48 -43.78 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' OG ' ' A' ' 42' ' ' SER . 89.9 mt -81.19 -90.18 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.727 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 41' ' ' LEU . 7.8 p 65.49 36.75 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.535 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.1 -62.03 0.02 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -49.22 -47.95 45.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.769 0.319 . . . . 0.0 110.619 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.51 -28.33 69.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 8.3 t0 -72.03 -2.11 17.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.65 55.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.617 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -79.5 138.45 37.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -88.01 -74.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -72.87 144.94 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.557 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -107.59 -38.72 4.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.45 -43.72 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.48 92.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.2 t -66.48 -35.13 74.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.587 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -70.81 -36.15 72.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.654 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.39 -57.46 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.56 -37.14 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.8 mtt -76.1 -36.03 59.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.736 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -60.42 -41.09 93.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.63 -41.09 63.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.59 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.0 mt -76.7 -37.54 55.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -67.18 -38.21 85.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.666 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -55.01 -31.22 60.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.495 ' N ' ' ND2' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.66 71.78 0.44 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.53 -34.22 88.83 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.489 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 51.2 p-10 -75.79 77.55 2.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.781 0.324 . . . . 0.0 110.639 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.5 -166.89 23.1 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -140.76 159.73 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.8 154.38 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -95.89 177.44 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -54.36 -53.72 50.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -57.72 -40.54 79.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.565 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.51 -18.45 61.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.258 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.434 ' CZ ' HG21 ' A' ' 78' ' ' VAL . 3.6 t80 -86.98 -58.93 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.464 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.528 HG23 ' N ' ' A' ' 76' ' ' VAL . 35.0 m -49.13 -44.91 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.528 ' N ' HG23 ' A' ' 75' ' ' VAL . 7.3 p -57.15 -37.04 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.795 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.3 mt -70.33 -39.91 74.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.434 HG21 ' CZ ' ' A' ' 74' ' ' TYR . 84.0 t -61.86 -30.47 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.596 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.4 30.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.66 -64.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.137 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.583 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -62.78 -19.62 64.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.811 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 79.6 m -66.65 -50.59 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.643 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.56 -37.84 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.628 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.55 -35.24 75.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.4 m -93.44 -26.21 17.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 38.4 t-20 -55.5 141.79 35.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 47.2 p-10 -142.97 43.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.565 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -62.6 -69.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.607 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 t80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 72.8 m -69.55 162.1 28.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.345 . . . . 0.0 110.638 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.79 -28.19 69.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -72.61 -30.44 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.567 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -67.08 -52.78 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.48 -21.37 63.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.698 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.31 -45.83 76.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.611 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 31.3 mmm -73.9 -31.74 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.24 -27.14 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.677 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.8 m -78.57 -41.07 32.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.37 -54.41 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.709 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.462 HG23 ' N ' ' B' ' 13' ' ' ASN . 17.8 tt -59.22 -39.28 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.685 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.462 ' N ' HG23 ' B' ' 12' ' ' ILE . 47.6 t30 -49.12 -37.66 22.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 79.3 t -80.68 -37.09 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -65.37 -60.51 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.01 -31.03 62.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.316 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.25 95.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.605 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -80.1 -37.22 34.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.612 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -66.66 -25.15 66.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.46 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.06 93.11 1.59 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -147.63 -96.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.559 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -157.97 35.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.46 -139.67 3.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.34 86.54 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -70.12 -17.23 63.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -69.79 -26.39 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -142.12 -167.46 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.532 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 tp -140.34 149.99 43.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 82.6 p -74.91 170.24 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -88.83 -33.71 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.639 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -60.42 -51.61 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -64.64 -26.71 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.716 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.674 ' O ' HD23 ' B' ' 33' ' ' LEU . 1.3 tt -54.97 -38.28 67.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.602 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -77.38 -25.56 51.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.735 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -70.66 -43.51 69.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 pp -77.87 -33.21 52.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.027 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' B' ' 37' ' ' LEU . 12.9 mt -52.73 -58.79 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.604 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.52 -49.3 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.895 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 28.1 m -55.61 -45.93 77.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.48 -43.65 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.871 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.435 ' O ' ' OG ' ' B' ' 42' ' ' SER . 90.2 mt -81.33 -90.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.656 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' B' ' 41' ' ' LEU . 7.6 p 65.38 36.87 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.25 -61.99 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -49.16 -47.96 45.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.724 0.297 . . . . 0.0 110.601 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.57 -28.28 69.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 8.4 t0 -72.09 -2.06 17.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.7 55.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.641 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -79.45 138.47 37.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.647 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -88.06 -74.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -72.98 144.92 47.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.477 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -107.57 -38.65 4.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.658 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.53 -43.63 98.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.697 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.4 92.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.56 -35.08 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.581 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -70.76 -36.22 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.691 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.28 -57.58 12.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.43 -37.21 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.664 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 46.9 mtt -76.13 -35.95 59.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.698 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -60.58 -41.0 93.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.63 -41.07 63.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 59.3 mt -76.73 -37.63 55.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.5 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -67.09 -38.21 85.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -55.03 -31.25 60.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.633 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.478 ' N ' ' ND2' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -160.6 71.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.41 -34.37 89.15 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 51.1 p-10 -75.74 77.62 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.643 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.52 -166.94 23.2 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -140.78 159.67 41.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.79 154.41 29.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -95.89 177.4 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -54.23 -53.86 47.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -57.57 -40.63 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -72.45 -18.51 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.309 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.441 ' CZ ' HG21 ' B' ' 78' ' ' VAL . 3.5 t80 -87.11 -58.81 2.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.396 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.539 HG23 ' N ' ' B' ' 76' ' ' VAL . 35.0 m -49.2 -44.88 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.821 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.539 ' N ' HG23 ' B' ' 75' ' ' VAL . 7.3 p -57.14 -37.12 54.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.754 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.403 ' N ' HG13 ' B' ' 76' ' ' VAL . 85.5 mt -70.33 -39.87 74.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.66 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.441 HG21 ' CZ ' ' B' ' 74' ' ' TYR . 83.9 t -61.8 -30.58 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.625 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.77 -19.44 30.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.62 -64.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.575 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -62.83 -19.75 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.812 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.7 m -66.48 -50.63 62.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 110.662 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 98.4 t -63.61 -37.68 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.17 75.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.45 -26.23 17.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 38.5 t-20 -55.46 141.8 35.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.465 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 47.1 p-10 -143.0 43.91 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -62.56 -70.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.564 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.569 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.581 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 p -73.58 158.31 35.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.757 0.313 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -56.72 -26.7 57.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.574 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -76.04 -34.45 59.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.519 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.581 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 48.0 mt-10 -63.0 -45.52 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.711 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 t -77.92 -20.81 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.63 -36.13 64.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.4 mmm -82.61 -32.62 28.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.588 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -61.98 -22.05 65.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.513 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.0 m -76.24 -39.16 55.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.499 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.38 -46.73 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.678 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -58.94 -39.05 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.213 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.405 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 73.3 m-20 -66.2 -44.34 84.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.14 -41.46 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.27 -44.8 65.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.35 -33.35 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.19 76.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.681 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -89.33 -41.75 11.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.673 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 p -64.2 -28.52 69.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.613 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.54 -27.91 59.05 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.75 -175.99 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 110.65 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.76 132.33 51.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.596 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.47 -163.34 25.77 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' A' ' 27' ' ' LYS . 10.6 t70 -70.94 135.59 48.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -82.19 -48.05 11.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.717 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -77.34 -10.97 59.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.584 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 92.2 mttt -143.9 -173.54 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.726 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 28' ' ' LEU . 14.8 tp -134.15 140.04 46.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.399 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.3 p -66.34 173.33 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.499 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -90.42 -26.97 19.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.07 -28.81 66.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.671 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.54 -33.65 75.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.712 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 33' ' ' LEU . 4.3 mm? -53.28 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -53.96 -25.48 20.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -81.4 -56.56 3.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.171 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.33 -37.13 77.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.972 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.4 mt -47.93 -64.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 110.587 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.28 -53.58 53.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -50.21 -38.43 40.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -82.19 -48.66 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 41' ' ' LEU . 5.9 mp -85.9 -81.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.827 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.484 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 4.8 t 56.89 27.0 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.115 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.02 -46.46 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -63.49 -51.1 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.49 -24.28 67.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.894 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' A' ' 42' ' ' SER . 84.0 m-20 -68.3 -5.93 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.415 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.39 71.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -84.01 105.53 14.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.58 -42.97 99.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -105.61 133.25 50.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.3 p -91.24 -30.01 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' A' ' 53' ' ' ALA . 22.4 p-10 -73.23 -54.05 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.719 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -44.55 -49.98 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.646 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.08 -29.16 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -64.02 -36.87 85.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.17 -62.41 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.552 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 58' ' ' MET . 7.5 p -58.42 -38.85 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.54 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.434 ' N ' HG13 ' A' ' 57' ' ' VAL . 10.1 ttp -67.3 -37.33 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.632 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.68 -41.31 99.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -52.1 -38.04 56.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.492 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 65' ' ' GLY . 51.9 mt -69.7 -36.64 76.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.68 -40.3 91.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.42 -35.47 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.447 ' N ' ' ND2' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -164.59 73.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.496 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -54.38 -34.74 54.77 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -88.99 133.53 34.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.575 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.21 -165.53 33.83 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -133.67 156.94 46.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.465 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 m -137.82 151.51 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -93.85 -172.15 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.497 ' CE2' HG11 ' A' ' 75' ' ' VAL . 49.2 t80 -63.3 -54.84 30.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.654 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -56.12 -49.55 73.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.542 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -65.12 -18.35 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.391 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -87.8 -63.48 1.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.637 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.577 HG23 ' N ' ' A' ' 76' ' ' VAL . 34.6 m -48.34 -48.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.896 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.577 ' N ' HG23 ' A' ' 75' ' ' VAL . 6.3 p -59.04 -29.21 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.479 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 77' ' ' LEU . 1.7 tt -73.2 -41.0 64.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.412 ' O ' ' OG1' ' A' ' 82' ' ' THR . 57.2 t -63.08 -27.5 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.72 -19.47 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.75 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.34 -64.68 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.552 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -62.27 -19.39 63.18 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.817 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 51.1 m -73.08 -45.43 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.745 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 79' ' ' ALA . 77.7 t -62.9 -30.99 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.88 -31.68 63.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 t -96.5 -25.12 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.468 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 30.0 t30 -68.13 131.76 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.468 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 94.3 m-20 -149.96 44.33 0.9 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -57.8 -35.22 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.55 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.4 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.622 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . 0.583 ' N ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.5 p -73.64 158.34 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.533 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -56.74 -26.71 57.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.5 tp -75.99 -34.45 59.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' B' ' 1' ' ' GLY . 47.9 mt-10 -63.02 -45.53 91.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.4 t -77.83 -20.94 52.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.52 -36.18 63.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.6 mmm -82.59 -32.7 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.502 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -62.02 -21.93 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.514 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.8 m -76.27 -39.14 55.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.457 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.5 -46.76 53.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.53 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.63 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -58.94 -39.05 76.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.216 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.41 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 73.3 m-20 -66.19 -44.37 84.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.76 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.09 -41.54 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.68 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -52.26 -44.78 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.34 -33.39 75.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.627 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.25 76.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -89.34 -41.64 12.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.719 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.6 p -64.25 -28.46 69.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.66 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.61 -27.82 59.13 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.77 -176.01 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.592 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.78 132.34 51.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.49 -163.27 25.78 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' B' ' 27' ' ' LYS . 10.6 t70 -71.03 135.63 47.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.506 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -82.2 -47.94 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.787 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -77.53 -10.87 59.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.681 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.58 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 92.2 mttt -143.96 -173.57 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.679 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -134.07 140.01 46.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.345 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 55.5 p -66.2 173.38 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.53 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -90.53 -26.82 19.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.656 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.22 -28.73 66.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.618 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.65 -33.57 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.737 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.435 HD22 ' N ' ' B' ' 33' ' ' LEU . 4.3 mm? -53.28 -61.56 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -54.07 -25.44 21.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -81.41 -56.51 4.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.143 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.24 -37.19 77.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.991 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 27.5 mt -47.93 -64.8 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.585 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -62.43 -53.51 53.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 22.2 m -50.14 -38.43 39.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -82.13 -48.76 10.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.985 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 41' ' ' LEU . 6.0 mp -85.88 -81.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.947 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.493 ' O ' ' OG ' ' B' ' 42' ' ' SER . 4.8 t 56.84 27.08 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.104 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.04 -46.37 0.08 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -63.65 -51.07 66.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.42 -24.27 67.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 42' ' ' SER . 83.9 m-20 -68.35 -5.88 21.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.496 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.41 71.48 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.469 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -83.99 105.51 14.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -61.5 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.421 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -105.64 133.29 50.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 14.4 p -91.24 -30.0 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.601 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.411 ' CG ' ' N ' ' B' ' 53' ' ' ALA . 22.4 p-10 -73.21 -54.01 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.726 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' B' ' 52' ' ' ASP . . . -44.64 -50.07 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.54 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.12 -29.09 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.47 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.97 -36.97 85.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.19 -62.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.431 HG13 ' N ' ' B' ' 58' ' ' MET . 7.5 p -58.39 -38.87 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.598 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.431 ' N ' HG13 ' B' ' 57' ' ' VAL . 10.1 ttp -67.27 -37.32 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.657 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.7 -41.35 99.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -52.11 -37.98 55.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.537 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 65' ' ' GLY . 51.8 mt -69.82 -36.58 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.519 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.66 -40.29 91.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.46 -35.35 73.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.469 ' N ' ' ND2' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -164.72 73.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.512 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -54.43 -34.81 55.14 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -89.0 133.54 34.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.26 -165.5 33.84 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -133.67 156.95 46.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.313 . . . . 0.0 110.49 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.81 151.44 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -93.81 -172.08 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.488 ' CE2' HG11 ' B' ' 75' ' ' VAL . 49.4 t80 -63.41 -54.8 31.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.622 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.03 -49.65 73.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -64.96 -18.58 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.389 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -87.63 -63.47 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.635 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.577 HG23 ' N ' ' B' ' 76' ' ' VAL . 33.8 m -48.53 -48.6 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.943 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.577 ' N ' HG23 ' B' ' 75' ' ' VAL . 6.3 p -59.01 -29.2 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.633 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.588 ' O ' HD23 ' B' ' 77' ' ' LEU . 1.7 tt -73.2 -41.04 64.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.98 -27.63 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.59 -19.52 30.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.35 -64.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.282 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.545 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -62.25 -19.57 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 0.0 110.817 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.2 m -72.97 -45.41 58.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 79' ' ' ALA . 78.6 t -62.94 -30.94 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.627 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.99 -31.64 63.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 37.5 t -96.53 -25.02 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.484 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 29.9 t30 -68.12 131.7 45.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' B' ' 86' ' ' ASN . 94.1 m-20 -150.01 44.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -57.8 -35.1 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.637 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 26.1 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -65.77 150.5 48.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.381 . . . . 0.0 110.54 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 7.3 mp0 -67.12 -30.07 69.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.418 HD11 HD23 ' B' ' 11' ' ' LEU . 6.7 tp -60.36 -29.19 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.624 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.89 -49.01 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.408 ' H ' HG22 ' A' ' 6' ' ' THR . 4.2 t -80.46 -21.0 42.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.753 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.46 -35.7 30.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -83.63 -27.97 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.529 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 99.3 mt-10 -64.82 -27.38 68.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.728 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 m -79.42 -27.26 41.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.723 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.423 HD23 HD11 ' B' ' 4' ' ' LEU . 9.5 mt -71.45 -46.51 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.652 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.2 tt -68.94 -32.0 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.809 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.9 m120 -54.81 -37.28 65.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.706 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -86.21 -23.97 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.811 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -70.15 -63.26 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.734 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.593 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 3.4 p80 -57.2 -29.48 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.593 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -59.05 -43.43 91.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -81.48 -31.7 32.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.706 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p -67.43 -21.53 65.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.699 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.29 19.13 55.09 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' A' ' 22' ' ' GLU . 83.7 tttt -149.11 125.16 10.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.66 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.481 ' O ' ' O ' ' A' ' 21' ' ' LYS . 96.8 mt-10 35.88 96.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.87 -175.05 27.39 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -67.39 -135.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 110.492 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -158.58 -47.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -72.17 -24.98 61.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.454 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -144.08 -176.91 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.51 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -128.98 142.98 50.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.7 p -68.55 166.91 16.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.66 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.494 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 49.9 mttm -89.84 -35.07 15.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.669 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -56.15 -54.43 45.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -61.6 -32.64 72.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.645 ' O ' HD23 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -57.69 -36.84 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.398 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -73.65 -25.32 60.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.51 -42.29 43.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.383 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.77 -24.08 41.75 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.245 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -54.04 -52.55 60.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -69.98 -45.62 66.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -59.99 -41.17 91.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -83.48 -50.27 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.701 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.08 96.8 7.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.5 t -123.93 -6.68 7.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.473 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.32 -15.21 59.1 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -88.55 -25.62 22.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.008 0.432 . . . . 0.0 110.131 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.446 HD23 ' N ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -87.35 -28.24 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.908 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.43 -28.39 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.555 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.39 41.13 3.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.558 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -59.87 132.64 54.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.51 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -90.95 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' O ' HG23 ' A' ' 54' ' ' VAL . 23.7 m-20 -88.51 145.02 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.577 HG13 ' N ' ' A' ' 52' ' ' ASP . 14.9 p -99.69 -45.32 11.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.677 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.577 ' N ' HG13 ' A' ' 51' ' ' VAL . 76.9 m-20 -67.46 -41.42 84.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.597 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.36 96.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.604 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 50' ' ' ASP . 91.5 t -64.04 -28.84 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.529 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -82.16 -20.1 38.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.419 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -55.59 -55.03 36.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 p -55.6 -35.35 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 47.9 mmm -62.16 -32.75 73.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.375 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -60.29 -39.21 86.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.494 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -56.95 -45.94 82.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -62.93 -38.24 90.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.631 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -58.34 -43.52 88.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.46 -37.64 85.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -94.26 -119.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.89 20.5 50.03 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 55.2 p30 -166.46 72.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.643 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.34 -168.55 37.27 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.6 mp0 -133.06 160.75 36.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.894 0.378 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.494 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 29.9 m -134.31 154.39 37.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -93.0 172.48 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -54.49 -39.53 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.525 ' O ' HG23 ' A' ' 76' ' ' VAL . 31.4 mt-30 -65.47 -44.97 85.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.14 -25.36 62.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.378 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -69.27 -53.41 19.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.382 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 72' ' ' GLN . 19.7 m -56.9 -29.81 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.649 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.9 t -61.47 -47.8 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.682 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.67 -31.59 71.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.704 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.457 ' O ' ' OG1' ' A' ' 82' ' ' THR . 54.2 t -66.67 -30.94 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.701 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.85 -19.37 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.85 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.099 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.53 -20.02 65.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.864 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 39.8 m -68.82 -46.89 67.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.7 t -68.83 -31.32 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.637 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.07 -34.14 59.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.7 t -95.28 -38.03 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.657 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.56 143.8 39.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.676 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -143.9 64.62 1.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.434 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -90.38 -65.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.748 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 p90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.748 -179.758 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -65.71 150.43 48.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.331 . . . . 0.0 110.585 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.523 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 7.3 mp0 -67.1 -30.07 69.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.423 HD11 HD23 ' A' ' 11' ' ' LEU . 6.7 tp -60.29 -29.21 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.674 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.83 -48.99 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.1 t -80.52 -21.04 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.716 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.34 -35.79 29.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 80.7 mmm -83.6 -28.01 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.582 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.522 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 99.3 mt-10 -64.76 -27.34 68.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.749 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.4 m -79.4 -27.24 41.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.418 HD23 HD11 ' A' ' 4' ' ' LEU . 9.5 mt -71.46 -46.63 59.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.3 tt -68.86 -32.02 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.752 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.9 m120 -54.8 -37.23 65.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.75 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.9 t -86.24 -23.96 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.783 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -70.12 -63.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.755 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.602 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 3.3 p80 -57.28 -29.32 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.769 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.602 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.16 -43.51 92.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.755 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -81.45 -31.64 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.673 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.3 p -67.46 -21.58 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.629 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.23 19.1 55.2 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 22' ' ' GLU . 83.7 tttt -149.09 125.16 10.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.658 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' B' ' 21' ' ' LYS . 96.8 mt-10 35.81 96.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.788 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.83 -175.06 27.34 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -67.39 -135.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.512 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -158.62 -47.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.626 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -72.22 -24.94 61.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -144.08 -176.87 5.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.556 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tp -128.99 143.01 50.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.503 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 75.2 p -68.6 166.91 16.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.653 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.493 ' NZ ' ' CG1' ' B' ' 69' ' ' VAL . 49.9 mttm -89.83 -34.99 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -56.28 -54.33 46.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -61.59 -32.67 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.56 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.641 ' O ' HD23 ' B' ' 33' ' ' LEU . 1.0 OUTLIER -57.63 -36.85 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.487 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -73.52 -25.44 60.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.52 -42.18 44.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.416 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.86 -24.13 41.46 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.23 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 37' ' ' LEU . 9.1 mt -53.95 -52.56 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -70.05 -45.53 66.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.2 m -59.91 -41.37 91.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -83.37 -50.3 8.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.74 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.12 96.85 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.442 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.4 t -124.0 -6.65 7.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.34 -15.27 58.98 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -88.43 -25.7 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.966 0.412 . . . . 0.0 110.107 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.449 HD23 ' N ' ' B' ' 45' ' ' LEU . 0.8 OUTLIER -87.38 -28.22 22.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.904 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -63.42 -28.39 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.563 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.38 41.07 3.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.615 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -59.77 132.49 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.526 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -90.88 -62.08 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.459 ' O ' HG23 ' B' ' 54' ' ' VAL . 23.8 m-20 -88.64 145.07 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.562 HG13 ' N ' ' B' ' 52' ' ' ASP . 14.9 p -99.67 -45.41 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.562 ' N ' HG13 ' B' ' 51' ' ' VAL . 77.0 m-20 -67.42 -41.47 84.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.591 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.34 97.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.616 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 50' ' ' ASP . 91.3 t -64.1 -28.76 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.544 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -82.22 -20.12 38.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -55.49 -55.06 36.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.498 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.65 -35.32 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 47.6 mmm -62.2 -32.79 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.355 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -60.26 -39.18 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.559 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -57.02 -45.8 82.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -62.97 -38.31 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -58.3 -43.57 88.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.73 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.36 -37.65 85.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -94.37 -119.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.556 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.89 20.53 49.98 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 55.1 p30 -166.47 72.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.825 0.345 . . . . 0.0 110.607 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.3 -168.53 37.22 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -133.02 160.75 36.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.481 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.493 ' CG1' ' NZ ' ' B' ' 30' ' ' LYS . 30.0 m -134.38 154.4 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.498 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -93.04 172.54 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -54.5 -39.53 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.521 ' O ' HG23 ' B' ' 76' ' ' VAL . 31.4 mt-30 -65.48 -44.96 85.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.07 -25.41 62.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -69.27 -53.45 19.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.364 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.414 HG22 ' O ' ' B' ' 72' ' ' GLN . 19.7 m -56.82 -29.87 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.644 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.2 t -61.51 -47.76 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.654 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.71 -31.52 71.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' B' ' 82' ' ' THR . 54.2 t -66.67 -31.06 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.658 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.61 -19.57 30.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.84 -64.75 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.217 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.586 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.63 -20.03 65.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.781 0.324 . . . . 0.0 110.855 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 39.5 m -68.84 -46.86 67.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.2 t -68.89 -31.32 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.573 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.16 -34.05 59.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.637 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 51.5 t -95.35 -37.89 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.637 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.58 143.9 39.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -143.93 64.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.441 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -90.32 -65.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.741 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 p90 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 -179.781 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -149.9 167.54 26.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.785 0.326 . . . . 0.0 110.579 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -59.21 -34.79 72.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.78 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.9 tm? -74.49 -48.92 24.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.269 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.488 ' OE2' ' O ' ' B' ' 41' ' ' LEU . 97.1 mt-10 -55.96 -53.03 61.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.678 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -65.02 -23.14 67.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -50.74 -52.44 40.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.637 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -68.39 -30.9 69.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.79 -29.4 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 m -76.87 -32.61 57.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.82 -53.67 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.704 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -58.79 -25.37 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.572 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 58.7 t30 -61.87 -37.3 84.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.701 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -85.46 -28.52 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.22 -63.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.539 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.3 p80 -61.39 -21.04 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.655 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -64.93 -44.14 90.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.733 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -90.39 -21.24 22.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.666 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -62.97 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.688 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.29 59.53 0.36 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -158.56 -81.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.766 0.317 . . . . 0.0 110.707 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.54 -43.55 8.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.593 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . -69.44 -168.75 6.23 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 25' ' ' LYS . 21.8 t70 -56.35 -120.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.527 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' N ' ' OD2' ' A' ' 24' ' ' ASP . 51.2 tttm -145.48 -36.1 0.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -109.14 -13.71 14.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -144.06 155.35 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -106.07 150.3 25.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.616 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -87.78 149.81 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' A' ' 68' ' ' GLU . 23.2 mtmm -68.84 -27.25 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -52.29 -38.72 59.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.27 -29.61 26.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HA ' HD21 ' A' ' 36' ' ' LEU . 56.2 tp -51.83 -36.45 48.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -78.69 -25.45 44.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.32 -46.6 15.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.072 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' A' ' 33' ' ' LEU . 3.1 pp -74.96 -25.97 59.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.975 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mt -54.32 -53.56 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' SER . 42.8 mt-30 -69.42 -47.35 64.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.5 m -57.98 -45.48 86.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -70.41 -43.01 70.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.742 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 67.4 mt -86.37 -76.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.9 m 54.09 54.21 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.54 -49.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.478 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 46.2 m-85 -60.72 -25.28 66.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -83.06 -19.54 36.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.424 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.83 9.47 6.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.611 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.507 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -166.34 74.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.582 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -96.02 130.33 43.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.542 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.55 -77.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.611 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.488 ' O ' HG23 ' A' ' 54' ' ' VAL . 67.5 m-20 -74.24 134.35 42.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.634 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 52' ' ' ASP . 9.1 p -88.83 -37.2 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.673 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.507 ' CG ' ' N ' ' A' ' 53' ' ' ALA . 16.7 p-10 -64.02 -56.15 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.657 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.507 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -53.65 -40.77 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.612 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 50' ' ' ASP . 79.5 t -69.24 -23.59 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 59' ' ' LYS . 43.9 t0 -78.55 -33.69 47.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.722 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -54.27 -64.03 0.96 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.57 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 58' ' ' MET . 5.9 p -49.04 -37.72 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.714 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.412 ' N ' HG13 ' A' ' 57' ' ' VAL . 63.7 mtt -75.07 -34.13 61.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ASP . 8.5 ttmm -57.17 -39.24 74.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -55.65 -40.94 72.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.37 -40.29 95.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.502 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.33 -41.63 80.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.604 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -67.42 -50.1 60.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.676 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -103.25 -110.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.604 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.75 18.69 56.02 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -56.72 -34.72 67.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.6 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.402 ' HA2' ' H ' ' A' ' 30' ' ' LYS . . . 96.56 60.15 1.0 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.522 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 80.8 tt0 -168.38 113.38 0.63 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.748 0.309 . . . . 0.0 110.565 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.54 147.57 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.435 ' OD1' ' CD ' ' A' ' 73' ' ' GLU . 4.8 p-10 -92.11 -170.19 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.636 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -73.71 -46.06 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -62.95 -45.14 93.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.765 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' CD ' ' OD1' ' A' ' 70' ' ' ASP . 99.4 mt-10 -71.24 -18.37 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.453 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -82.02 -53.63 5.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.583 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 76' ' ' VAL . 27.3 m -59.09 -45.1 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.998 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.497 ' N ' HG23 ' A' ' 75' ' ' VAL . 9.8 p -59.28 -37.43 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.741 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' VAL . 45.1 mt -69.52 -38.85 77.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.757 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' A' ' 82' ' ' THR . 76.2 t -63.01 -26.66 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.48 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.87 -65.02 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.23 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.01 -19.55 64.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.812 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 32.1 m -69.13 -51.24 40.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.725 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.52 -38.7 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.77 -30.04 71.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 48.5 t -109.62 17.43 21.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -89.31 132.54 34.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 4.9 p30 -118.69 60.11 0.81 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.48 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -85.03 -69.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.0 t80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -149.95 167.51 26.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.581 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -59.11 -34.9 72.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.777 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -74.44 -48.93 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.219 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.476 ' OE2' ' O ' ' A' ' 41' ' ' LEU . 97.1 mt-10 -55.86 -53.19 59.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.69 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -64.96 -23.19 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.778 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -50.67 -52.54 38.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.643 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.8 mmm -68.31 -30.83 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.717 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -65.89 -29.37 69.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 58.3 m -76.86 -32.61 57.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.596 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.95 -53.47 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.402 HD13 HG21 ' B' ' 12' ' ' ILE . 3.2 tt -58.87 -25.39 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.534 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 58.7 t30 -61.94 -37.26 84.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 95.3 t -85.39 -28.6 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.794 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.17 -62.96 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.889 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.535 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.2 p80 -61.42 -20.97 63.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.729 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' B' ' 13' ' ' ASN . . . -65.09 -44.11 89.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.692 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -90.35 -21.22 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -63.03 -30.33 71.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.23 59.65 0.35 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -158.68 -81.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.699 0.285 . . . . 0.0 110.685 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.63 -43.57 8.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.517 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.477 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . -69.35 -168.69 6.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.533 ' OD2' ' N ' ' B' ' 25' ' ' LYS . 21.8 t70 -56.47 -120.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.579 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.533 ' N ' ' OD2' ' B' ' 24' ' ' ASP . 51.2 tttm -145.51 -36.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -109.15 -13.78 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.539 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -143.94 155.33 44.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.705 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -106.12 150.29 25.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -87.84 149.66 24.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.496 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.496 ' NZ ' ' O ' ' B' ' 68' ' ' GLU . 23.3 mtmm -68.63 -27.33 65.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.688 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -52.31 -38.75 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.21 -29.7 26.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.419 ' HA ' HD21 ' B' ' 36' ' ' LEU . 55.9 tp -51.7 -36.54 47.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -78.65 -25.38 44.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.711 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.36 -46.52 15.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' B' ' 33' ' ' LEU . 3.1 pp -74.98 -25.98 59.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.019 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mt -54.37 -53.57 52.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.326 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' B' ' 42' ' ' SER . 42.8 mt-30 -69.42 -47.36 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.846 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 27.4 m -57.86 -45.53 86.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.46 -42.95 70.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.78 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.488 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 67.2 mt -86.29 -76.56 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.7 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.456 ' N ' ' O ' ' B' ' 38' ' ' GLN . 4.0 m 54.11 54.22 9.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.528 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.53 -49.72 0.02 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.473 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 46.2 m-85 -60.7 -25.29 66.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.734 0.302 . . . . 0.0 110.612 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.6 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -82.94 -19.6 36.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.541 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -80.81 9.38 6.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.492 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -166.29 74.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.592 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -95.93 130.36 42.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.54 -77.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.636 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.486 ' O ' HG23 ' B' ' 54' ' ' VAL . 67.5 m-20 -74.26 134.47 42.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.424 HG13 ' N ' ' B' ' 52' ' ' ASP . 9.3 p -88.95 -37.18 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.614 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.508 ' CG ' ' N ' ' B' ' 53' ' ' ALA . 16.7 p-10 -64.13 -56.1 17.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' B' ' 52' ' ' ASP . . . -53.69 -40.72 66.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 50' ' ' ASP . 79.0 t -69.33 -23.47 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -78.55 -33.78 47.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.689 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -54.31 -64.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.504 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' B' ' 58' ' ' MET . 5.8 p -49.04 -37.75 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.658 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.41 ' N ' ' CG1' ' B' ' 57' ' ' VAL . 63.7 mtt -75.1 -34.1 61.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.643 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -57.24 -39.19 75.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.61 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.63 -41.02 72.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.477 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.37 -40.32 95.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.475 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.18 -41.69 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.67 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -67.52 -49.92 61.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.724 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -103.31 -110.7 0.24 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.72 18.69 56.07 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -56.64 -34.82 67.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.66 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.64 60.15 0.99 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.496 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 80.9 tt0 -168.37 113.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.75 0.309 . . . . 0.0 110.482 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.4 147.6 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.538 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.438 ' OD1' ' CD ' ' B' ' 73' ' ' GLU . 4.9 p-10 -92.09 -170.15 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.617 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -73.81 -46.05 47.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.752 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -62.83 -45.23 93.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.782 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.438 ' CD ' ' OD1' ' B' ' 70' ' ' ASP . 99.4 mt-10 -71.19 -18.45 62.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -81.87 -53.77 5.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.498 HG23 ' N ' ' B' ' 76' ' ' VAL . 27.2 m -59.0 -45.11 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.054 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.498 ' N ' HG23 ' B' ' 75' ' ' VAL . 9.8 p -59.37 -37.26 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.766 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.421 ' N ' HG13 ' B' ' 76' ' ' VAL . 44.8 mt -69.72 -38.72 77.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.679 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.468 ' O ' ' OG1' ' B' ' 82' ' ' THR . 76.9 t -62.97 -26.82 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.589 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.66 -19.57 30.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.87 -64.82 0.82 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.322 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.578 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.07 -19.77 64.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.767 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 32.2 m -69.03 -51.34 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.685 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.38 -38.73 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.91 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 48.5 t -109.62 17.29 21.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.613 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -89.24 132.43 34.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 87' ' ' ASN . 4.9 p30 -118.66 60.16 0.81 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -85.08 -69.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.671 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -76.51 166.76 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.622 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 7' ' ' ALA . 93.3 mt-10 -57.17 -25.18 58.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -52.49 -59.77 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.453 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -48.19 -45.29 33.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.724 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.444 ' H ' HG23 ' A' ' 6' ' ' THR . 0.6 OUTLIER -78.0 -25.36 47.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 -179.671 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -51.62 -33.98 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.451 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.6 mmm -85.06 -32.32 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.547 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.66 -29.29 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 14' ' ' VAL . 32.2 m -69.55 -33.22 72.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -78.23 -52.16 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -55.46 -41.71 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.149 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 49.3 m-20 -60.91 -45.37 94.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.531 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 10' ' ' THR . 78.7 t -66.87 -37.09 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.468 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 18.3 t80 -53.14 -45.23 68.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.509 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -72.78 -22.11 60.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.519 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -65.91 -34.44 78.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.72 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -90.51 -33.16 16.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.64 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.8 p -61.93 -36.56 81.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.687 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.07 -36.04 84.95 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -59.32 -61.35 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -149.85 168.49 23.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.605 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.69 -171.14 52.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 27' ' ' LYS . 94.9 m-20 -67.1 146.63 54.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 110.499 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.51 -71.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.683 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -64.95 -44.71 88.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.614 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.487 ' O ' ' O ' ' A' ' 24' ' ' ASP . 51.1 mmtt -94.56 166.35 12.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.76 135.04 29.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.375 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.7 p -72.95 165.72 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -88.69 -1.58 58.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.627 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -79.15 -43.89 23.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.45 -25.93 66.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 33' ' ' LEU . 4.2 mm? -54.85 -57.65 10.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -55.61 -25.41 38.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.27 -52.21 7.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.288 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 40' ' ' GLU . 3.0 pp -74.05 -33.13 63.59 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.269 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mt -50.76 -44.44 58.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.411 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -74.3 -39.02 63.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.0 m -70.6 -25.12 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.778 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' LEU . 77.1 mm-40 -98.83 -50.38 4.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.6 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.513 ' O ' HD21 ' A' ' 45' ' ' LEU . 49.0 mt -107.05 106.84 17.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.0 t -131.08 34.49 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.448 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.78 -45.11 0.13 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -59.08 -38.0 78.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.434 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.581 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.51 -3.04 31.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.395 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -87.9 -7.53 57.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.525 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.08 62.72 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -78.69 111.03 14.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -95.31 -51.12 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -73.08 -176.57 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.57 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -140.41 -53.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.321 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -52.43 -46.1 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.568 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.89 86.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.69 -26.08 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.573 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 51' ' ' VAL . 56.5 t0 -82.91 -36.08 25.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.651 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -57.2 -57.45 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.734 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 58' ' ' MET . 8.0 p -52.56 -36.5 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.633 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.416 ' N ' HG13 ' A' ' 57' ' ' VAL . 65.1 mtt -70.56 -42.32 71.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -59.8 -26.22 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.686 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -50.68 -37.49 41.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 61' ' ' LEU . 9.5 mp -65.63 -41.68 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -68.64 -39.2 80.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.677 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.83 -90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -63.47 -81.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.39 12.61 84.39 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -165.13 9.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 0.0 110.619 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.59 -177.81 51.79 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -142.47 166.38 24.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 110.604 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.82 150.42 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.447 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 70' ' ' ASP . 5.6 p-10 -98.98 -56.63 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.592 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -167.64 -41.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 76' ' ' VAL . 38.1 mt-30 -68.07 -51.26 48.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.794 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.475 ' OE1' ' OD1' ' A' ' 70' ' ' ASP . 55.3 mp0 -67.82 -18.85 64.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.404 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -74.49 -49.74 20.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.455 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 72' ' ' GLN . 18.8 m -64.42 -25.98 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.737 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 72' ' ' GLN . 56.0 t -58.88 -47.51 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.83 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 8.1 mp -62.74 -56.24 19.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.5 t -46.01 -39.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.5 -19.22 39.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -65.11 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.458 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.57 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -68.65 -19.98 64.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.657 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 86' ' ' ASN . 74.3 m -70.36 -61.81 1.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.935 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 p -56.88 -24.24 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.684 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.06 83.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 2.8 m -127.61 17.25 6.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.928 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 82' ' ' THR . 25.2 t-20 -66.4 -49.78 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.487 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 41.2 61.23 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.625 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -72.51 -39.01 67.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.9 t80 . . . . . 0 C--N 1.332 -0.177 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.681 -179.84 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -76.44 166.81 22.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 110.535 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' B' ' 7' ' ' ALA . 93.3 mt-10 -57.15 -25.15 58.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.489 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.496 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -52.57 -59.85 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.434 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -48.06 -45.4 32.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.727 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.444 ' H ' HG23 ' B' ' 6' ' ' THR . 0.6 OUTLIER -77.96 -25.23 48.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.759 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' B' ' 3' ' ' GLU . . . -51.74 -33.99 37.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 61.5 mmm -85.03 -32.3 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.595 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.59 -29.4 70.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.633 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.504 ' O ' HG23 ' B' ' 14' ' ' VAL . 32.3 m -69.51 -33.33 72.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.403 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.2 mt -78.14 -52.26 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.641 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -55.44 -41.63 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.226 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.436 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 49.3 m-20 -60.97 -45.36 95.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.441 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 10' ' ' THR . 78.3 t -66.92 -37.19 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.479 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' B' ' 15' ' ' PHE . 18.5 t80 -53.14 -45.12 68.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -72.81 -22.08 60.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -65.91 -34.51 78.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.693 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -90.42 -33.13 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.723 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.7 p -61.92 -36.62 81.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.666 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.07 -35.99 84.85 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -59.42 -61.19 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -150.04 168.57 23.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.46 -171.09 52.81 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.6 m-20 -67.02 146.63 54.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.553 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.51 -71.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.696 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -64.97 -44.71 88.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' B' ' 24' ' ' ASP . 51.1 mmtt -94.5 166.23 12.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.63 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.74 134.99 29.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.8 p -72.82 165.67 24.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -88.66 -1.62 58.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.667 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -79.08 -44.04 22.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.547 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.37 -25.93 66.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.418 HD22 ' N ' ' B' ' 33' ' ' LEU . 4.2 mm? -54.87 -57.72 10.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.388 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -55.51 -25.55 37.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.993 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -81.15 -52.24 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.357 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 40' ' ' GLU . 3.0 pp -74.04 -33.03 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.275 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mt -50.88 -44.48 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.369 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -74.24 -39.07 63.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.665 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 24.0 m -70.54 -25.13 62.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.749 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' B' ' 36' ' ' LEU . 77.1 mm-40 -98.93 -50.36 4.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.596 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.502 ' O ' HD21 ' B' ' 45' ' ' LEU . 48.9 mt -107.0 106.83 17.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.54 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.2 t -131.09 34.53 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.509 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.74 -45.18 0.13 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.12 -37.89 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.478 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.582 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -75.59 -3.01 31.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.36 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -87.91 -7.43 57.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.12 62.64 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.481 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -78.69 110.96 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.56 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -95.26 -51.18 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -73.04 -176.57 2.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.573 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' B' ' 55' ' ' ASP . 0.4 OUTLIER -140.44 -53.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.287 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -52.53 -46.06 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.566 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.02 -41.79 86.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.62 -26.15 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' B' ' 51' ' ' VAL . 56.5 t0 -82.87 -36.17 25.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -57.18 -57.43 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.411 HG13 ' N ' ' B' ' 58' ' ' MET . 8.0 p -52.54 -36.65 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.517 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.411 ' N ' HG13 ' B' ' 57' ' ' VAL . 65.0 mtt -70.48 -42.25 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.68 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.83 -26.25 65.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -50.59 -37.53 40.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.585 HD12 ' N ' ' B' ' 61' ' ' LEU . 9.5 mp -65.53 -41.77 92.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.645 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -68.58 -39.27 81.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.694 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.82 -90.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -63.47 -81.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.592 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.5 12.47 84.5 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -165.08 9.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.547 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.63 -177.82 51.77 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -142.43 166.36 24.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.56 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.83 150.4 28.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.513 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 70' ' ' ASP . 5.6 p-10 -98.89 -56.67 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -167.67 -41.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.525 ' O ' HG23 ' B' ' 76' ' ' VAL . 38.0 mt-30 -68.13 -51.26 48.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.775 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.467 ' OE1' ' OD1' ' B' ' 70' ' ' ASP . 55.3 mp0 -67.76 -18.91 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.989 0.424 . . . . 0.0 110.382 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -74.41 -49.72 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.451 HG22 ' O ' ' B' ' 72' ' ' GLN . 18.9 m -64.45 -25.85 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.77 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 72' ' ' GLN . 56.0 t -58.99 -47.48 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.452 HD12 ' N ' ' B' ' 77' ' ' LEU . 8.0 mp -62.77 -56.27 19.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.551 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.5 t -46.04 -39.86 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.751 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.49 -19.36 38.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -65.05 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.564 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.571 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -68.7 -20.0 64.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.661 -179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.465 ' O ' ' N ' ' B' ' 86' ' ' ASN . 75.5 m -70.35 -61.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.982 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 p -57.01 -24.31 20.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.652 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.13 83.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.798 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 2.9 m -127.55 17.25 6.98 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 82' ' ' THR . 25.4 t-20 -66.24 -49.96 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.509 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 41.24 61.22 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.575 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -72.46 -38.93 68.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.665 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 77.9 t80 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.692 -179.831 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -71.88 161.47 30.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.518 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.84 -21.64 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 46.9 tp -79.31 -31.02 43.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.706 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' B' ' 41' ' ' LEU . 81.9 mt-10 -65.4 -51.9 57.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -65.84 -20.72 66.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.585 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -55.98 -54.21 47.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mmt -64.74 -33.9 77.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.622 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.44 -31.38 70.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.1 m -78.35 -37.37 44.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.75 -45.91 87.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 tt -73.34 -22.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.43 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 56.4 t30 -57.33 -42.18 81.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.736 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.451 ' H ' HG22 ' A' ' 14' ' ' VAL . 9.0 m -81.97 -34.54 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -56.61 -62.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.856 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 4.7 p80 -56.64 -31.4 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.523 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.619 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -64.37 -49.93 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.643 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -70.18 -45.91 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 m -59.14 -30.27 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.95 -25.47 23.83 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 22' ' ' GLU . 22.2 mtpp -64.83 170.55 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.615 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 21' ' ' LYS . 14.3 pt-20 -38.47 159.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.596 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.63 -171.41 37.91 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -71.32 118.51 14.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.508 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -72.48 -20.55 61.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -70.79 -45.57 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.612 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -110.94 163.0 14.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.67 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -129.41 138.27 51.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.38 174.64 3.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -99.56 -30.6 12.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -58.34 -45.71 87.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.671 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -66.82 -29.97 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.674 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.45 -46.07 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.691 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.41 -25.55 68.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -77.74 -51.69 10.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.975 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 pp -71.27 -25.8 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.008 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.97 -39.86 91.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.469 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.49 -27.37 41.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.8 m -87.57 -27.14 22.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.877 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -81.88 -50.17 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.582 ' N ' HD12 ' A' ' 41' ' ' LEU . 9.9 mp -81.38 -63.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.891 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.454 ' O ' ' OG ' ' A' ' 42' ' ' SER . 8.8 t 43.37 31.84 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.448 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . -145.1 -62.89 0.02 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.545 ' C ' ' H ' ' A' ' 46' ' ' ASP . 24.3 m-85 -49.53 -46.18 48.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.648 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 45' ' ' LEU . 1.6 pp -58.13 0.37 0.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.652 ' N ' HD12 ' A' ' 45' ' ' LEU . 16.4 t70 -87.69 3.43 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.66 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.32 76.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.658 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.93 89.27 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.438 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' NZ ' ' ND2' ' A' ' 87' ' ' ASN . 83.9 mttt -84.92 -68.56 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.649 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' O ' HG23 ' A' ' 54' ' ' VAL . 79.4 m-20 -56.29 127.53 31.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 52' ' ' ASP . 9.4 p -94.18 -40.67 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' N ' HG13 ' A' ' 51' ' ' VAL . 95.5 m-20 -57.95 -44.92 87.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.604 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.15 -41.35 86.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 50' ' ' ASP . 79.7 t -68.98 -26.02 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.653 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -76.7 -38.44 54.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -61.9 -57.78 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 58' ' ' MET . 8.7 p -57.39 -39.53 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.514 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.466 ' N ' HG13 ' A' ' 57' ' ' VAL . 70.4 mmm -71.5 -39.49 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.455 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -63.5 -49.28 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -45.76 -27.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.236 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.08 -41.95 76.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.513 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -72.13 -34.74 68.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.727 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.01 -28.48 69.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.722 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.502 ' C ' ' H ' ' A' ' 66' ' ' ASP . 23.9 m-80 -145.97 51.76 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.64 7.05 1.11 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 64' ' ' ASN . 52.5 t0 -149.72 84.44 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.583 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.07 -152.09 7.8 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -144.91 167.47 22.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.792 0.33 . . . . 0.0 110.536 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -141.05 155.15 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -97.18 -167.44 1.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.85 -51.68 60.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.652 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.92 -40.14 92.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.696 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.16 -18.24 60.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.387 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -84.15 -46.52 11.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.682 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 76' ' ' VAL . 31.4 m -69.03 -41.04 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.27 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.478 ' N ' HG23 ' A' ' 75' ' ' VAL . 9.8 p -56.97 -40.86 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.863 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.473 ' N ' HG13 ' A' ' 76' ' ' VAL . 72.5 mt -59.98 -44.71 94.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.642 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.1 t -67.52 -34.49 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.576 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.01 -26.3 68.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.02 -64.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -50.18 -21.89 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.812 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.806 ' N ' HD23 ' A' ' 81' ' ' LEU . 19.3 m -78.15 -57.89 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.628 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.7 t -56.7 -24.43 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.802 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.81 -49.3 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.1 m -97.59 -5.09 36.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.87 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' THR . 23.3 t-20 -51.91 -44.98 64.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.55 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.44 ' ND2' ' NZ ' ' A' ' 49' ' ' LYS . 59.2 t-20 51.36 52.94 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.495 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -75.14 -71.36 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 79.3 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.756 -179.869 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -72.02 161.45 30.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.592 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -59.64 -21.7 60.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.706 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 46.8 tp -79.32 -30.95 43.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.483 ' OE2' ' O ' ' A' ' 41' ' ' LEU . 82.0 mt-10 -65.53 -51.8 57.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.563 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.6 t -65.88 -20.82 66.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -55.92 -54.26 46.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mmt -64.7 -33.89 77.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.609 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.61 -31.32 70.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.8 m -78.29 -37.36 45.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.75 -45.86 87.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.708 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 tt -73.38 -22.07 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.712 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.428 ' O ' ' NE2' ' B' ' 16' ' ' HIS . 56.4 t30 -57.34 -42.18 81.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.41 HG22 ' H ' ' B' ' 14' ' ' VAL . 9.2 m -82.0 -34.51 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.839 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -56.56 -63.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.792 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.637 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 4.7 p80 -56.52 -31.41 64.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.56 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.637 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -64.51 -49.89 69.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -70.24 -45.81 65.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.9 m -59.26 -30.17 68.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.99 -25.43 23.98 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' B' ' 22' ' ' GLU . 22.2 mtpp -64.85 170.7 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.629 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' B' ' 21' ' ' LYS . 14.3 pt-20 -38.65 159.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.627 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.75 -171.39 37.69 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -71.44 118.45 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.477 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -72.42 -20.59 61.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.683 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -70.71 -45.63 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -111.0 163.04 14.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tp -129.4 138.16 51.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.31 174.7 3.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.624 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -99.6 -30.61 12.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.581 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.446 ' HZ2' ' HA ' ' B' ' 66' ' ' ASP . 63.5 mttp -58.45 -45.63 88.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -66.84 -29.98 70.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.602 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.56 -45.99 77.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.662 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.45 -25.54 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -77.73 -51.69 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 40' ' ' GLU . 2.8 pp -71.29 -25.83 62.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.979 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.97 -39.83 91.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.46 -27.45 41.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 25.3 m -87.35 -27.29 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.951 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 36' ' ' LEU . 67.6 mm-40 -81.86 -50.17 9.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 41' ' ' LEU . 9.9 mp -81.39 -63.48 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.847 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.471 ' O ' ' OG ' ' B' ' 42' ' ' SER . 8.7 t 43.31 31.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.443 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' B' ' 46' ' ' ASP . . . -145.11 -62.9 0.02 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.522 ' C ' ' H ' ' B' ' 46' ' ' ASP . 24.3 m-85 -49.51 -46.18 48.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.772 0.32 . . . . 0.0 110.56 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.667 ' C ' HD12 ' B' ' 45' ' ' LEU . 1.6 pp -58.15 0.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.661 ' N ' HD12 ' B' ' 45' ' ' LEU . 16.3 t70 -87.66 3.52 47.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.712 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.38 76.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.68 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.9 89.18 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.433 ' NZ ' HD21 ' B' ' 87' ' ' ASN . 83.9 mttt -84.84 -68.61 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.632 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -56.42 127.6 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.497 HG13 ' N ' ' B' ' 52' ' ' ASP . 9.2 p -94.19 -40.66 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.497 ' N ' HG13 ' B' ' 51' ' ' VAL . 95.5 m-20 -57.89 -44.92 87.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.622 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.31 86.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 79.6 t -69.1 -25.91 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -76.68 -38.59 54.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.531 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -61.84 -57.81 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.749 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.459 HG13 ' N ' ' B' ' 58' ' ' MET . 8.5 p -57.31 -39.59 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.536 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.459 ' N ' HG13 ' B' ' 57' ' ' VAL . 70.5 mmm -71.51 -39.48 70.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.483 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -63.45 -49.29 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -45.84 -26.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.202 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.06 -42.0 76.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.519 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -72.11 -34.75 68.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.01 -28.55 69.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.659 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.507 ' C ' ' H ' ' B' ' 66' ' ' ASP . 23.9 m-80 -145.91 51.78 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 7.1 1.12 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' B' ' 64' ' ' ASN . 52.4 t0 -149.76 84.46 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.557 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.03 -152.1 7.79 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -144.9 167.46 22.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.56 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -141.07 155.2 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -97.23 -167.46 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.495 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.79 -51.73 60.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.86 -40.28 92.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.661 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.01 -18.45 60.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.354 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -83.99 -46.52 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.759 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.47 HG23 ' N ' ' B' ' 76' ' ' VAL . 31.3 m -69.03 -41.12 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.143 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.47 ' N ' HG23 ' B' ' 75' ' ' VAL . 9.8 p -56.93 -40.94 75.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 110.855 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.469 ' N ' HG13 ' B' ' 76' ' ' VAL . 72.5 mt -59.79 -44.75 93.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.688 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.56 -34.41 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.685 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.99 -26.33 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.98 -64.45 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.367 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.788 HD23 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -50.26 -21.87 1.54 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.846 179.698 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.788 ' N ' HD23 ' B' ' 81' ' ' LEU . 19.5 m -78.06 -57.93 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 66.0 t -56.7 -24.5 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.79 -49.33 62.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.3 m -97.48 -5.24 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.924 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 82' ' ' THR . 23.2 t-20 -51.92 -44.83 64.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.585 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.433 HD21 ' NZ ' ' B' ' 49' ' ' LYS . 59.3 t-20 51.15 53.01 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -75.12 -71.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 79.5 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.73 -179.851 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -81.95 153.11 26.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 0.0 110.598 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.24 -26.51 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -66.18 -28.96 69.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.505 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -67.77 -59.11 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.731 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -64.91 -29.17 70.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.99 -48.96 21.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -34.51 78.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.399 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -66.14 -24.5 66.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.494 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.6 m -76.31 -33.45 59.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.05 -51.65 30.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.802 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 tt -62.61 -26.88 41.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.701 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -57.01 -39.3 74.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.738 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 71.9 t -83.73 -32.11 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.51 -62.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.701 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.538 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.6 p80 -58.55 -20.91 50.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -67.27 -45.44 76.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.706 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -90.15 -16.29 29.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.734 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 p -61.67 -28.25 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.599 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.68 -120.55 0.1 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 59.01 -121.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.704 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -76.98 45.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.648 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.75 -150.14 32.41 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 57.33 47.78 16.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.487 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -73.07 -11.16 60.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -92.61 -55.04 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.646 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -107.29 170.85 7.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.631 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -137.82 135.83 36.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.448 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -76.43 156.53 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.648 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -79.63 -30.27 41.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.709 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -56.18 -22.97 32.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -85.03 -35.86 21.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.743 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD21 ' CD1' ' A' ' 74' ' ' TYR . 6.8 mt -54.12 -55.95 22.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.507 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -55.47 -25.37 36.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.661 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.31 -54.16 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.79 -25.75 63.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.099 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' LEU . 10.6 mt -57.38 -44.11 84.16 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.314 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -75.21 -46.21 35.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.9 m -64.84 -37.96 89.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.078 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -92.48 -50.37 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.867 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 tp -98.88 99.5 10.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.335 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -133.26 55.24 1.91 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.26 -36.25 0.2 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.539 ' C ' ' H ' ' A' ' 46' ' ' ASP . 77.1 m-85 -83.4 -43.49 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.736 0.303 . . . . 0.0 110.523 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.657 HD12 ' C ' ' A' ' 45' ' ' LEU . 1.6 pp -59.61 0.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.492 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.65 ' N ' HD12 ' A' ' 45' ' ' LEU . 9.0 t70 -93.8 4.14 54.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.43 65.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.585 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -86.47 80.91 8.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.564 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.05 -40.87 71.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.612 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -83.19 137.13 34.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.547 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.6 -54.91 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.416 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -52.53 -44.47 65.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.73 99.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.83 -22.29 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.695 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.8 -34.96 64.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -59.73 -54.09 50.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.694 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.1 p -59.06 -39.31 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.753 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 58' ' ' MET . 11.3 tmm? -71.14 -40.44 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -61.39 -38.36 86.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.16 -35.82 27.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 65' ' ' GLY . 57.6 mt -63.23 -39.65 95.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.481 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.63 -39.99 95.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.52 -38.0 89.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -167.79 76.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.618 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -67.76 -32.69 78.49 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -91.44 12.66 19.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.333 . . . . 0.0 110.589 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.66 153.05 41.87 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -98.0 156.62 16.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.473 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.1 150.41 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.603 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -96.35 -172.79 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.416 ' O ' HG22 ' A' ' 75' ' ' VAL . 51.7 t80 -60.04 -56.5 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -57.37 -44.67 84.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -67.9 -18.39 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.365 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.42 ' CD1' HD21 ' A' ' 33' ' ' LEU . 5.1 t80 -87.28 -64.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 76' ' ' VAL . 28.3 m -43.92 -43.8 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 77' ' ' LEU . 8.8 p -58.56 -41.8 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.896 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.497 ' N ' HG13 ' A' ' 76' ' ' VAL . 16.6 mt -62.66 -47.89 81.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.511 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.402 ' O ' ' OG1' ' A' ' 82' ' ' THR . 53.0 t -52.41 -27.53 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.39 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.62 -19.38 31.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.62 -64.63 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -64.5 -19.56 65.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.154 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 96.6 m -68.76 -53.84 19.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.677 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 82.4 t -61.13 -24.41 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.73 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.46 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' ASN . 2.7 m -94.49 -26.34 16.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.859 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' CYS . 4.0 t-20 -36.37 -55.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.708 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' ASN . 22.4 t-20 39.76 44.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.583 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -76.17 -61.29 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.707 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.702 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -81.9 153.08 26.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.17 -26.62 68.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.578 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.5 tp -66.09 -28.94 69.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -67.83 -59.09 3.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.736 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -64.95 -29.16 70.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.642 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.93 -48.95 21.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.491 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -34.49 77.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -66.18 -24.42 66.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 43.9 m -76.32 -33.43 59.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.662 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 mt -70.07 -51.65 30.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.752 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -62.62 -26.95 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.666 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -56.9 -39.27 74.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.433 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 71.8 t -83.83 -32.12 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.786 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -60.57 -62.51 1.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.672 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.538 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.5 p80 -58.55 -20.84 49.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.741 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -67.36 -45.35 76.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -90.21 -16.31 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.718 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.8 p -61.67 -28.27 69.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.635 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.59 -120.52 0.1 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 59.0 -121.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.737 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -76.98 45.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.77 -150.14 32.37 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 57.28 47.76 16.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.511 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -73.06 -11.13 60.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -92.59 -55.04 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.689 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -107.27 170.87 7.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.668 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tp -137.83 135.92 36.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.414 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 89.2 p -76.54 156.53 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -79.69 -30.16 40.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.687 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -56.26 -22.99 33.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.537 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -85.01 -35.87 21.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.745 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' B' ' 74' ' ' TYR . 6.8 mt -54.18 -55.92 23.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.526 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -55.33 -25.46 34.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.741 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.27 -54.27 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.72 -25.71 63.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.074 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' B' ' 41' ' ' LEU . 10.6 mt -57.48 -44.06 84.6 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.261 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -75.14 -46.32 35.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.0 m -64.8 -38.04 89.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.952 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -92.47 -50.35 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.858 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' B' ' 37' ' ' LEU . 1.7 tp -98.86 99.36 10.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.395 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -133.27 55.43 1.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.488 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.31 -36.26 0.2 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.522 ' C ' ' H ' ' B' ' 46' ' ' ASP . 77.2 m-85 -83.44 -43.51 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.682 0.277 . . . . 0.0 110.422 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.675 ' C ' HD12 ' B' ' 45' ' ' LEU . 1.6 pp -59.73 0.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.501 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.653 ' N ' HD12 ' B' ' 45' ' ' LEU . 8.9 t70 -93.76 4.13 54.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.49 65.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -86.47 80.99 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.56 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.12 -40.92 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -83.2 137.09 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.641 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -54.83 6.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -52.58 -44.4 65.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.658 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.79 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.81 -22.38 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.645 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.72 -35.01 65.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.661 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -59.67 -54.03 51.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.825 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.09 -39.23 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.693 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.421 ' C ' ' SD ' ' B' ' 58' ' ' MET . 11.4 tmm? -71.29 -40.3 70.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.656 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -61.52 -38.31 86.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.21 -35.81 28.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' B' ' 65' ' ' GLY . 57.5 mt -63.11 -39.76 95.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -62.46 -40.08 95.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -64.51 -37.99 89.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.624 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -167.84 76.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.623 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -67.7 -32.67 78.7 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -91.46 12.73 19.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.312 . . . . 0.0 110.577 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.7 152.97 41.68 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -97.94 156.55 16.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.778 0.323 . . . . 0.0 110.496 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.14 150.42 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.402 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 78.0 m-20 -96.31 -172.81 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.456 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.413 ' O ' HG22 ' B' ' 75' ' ' VAL . 51.4 t80 -60.08 -56.47 21.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -57.33 -44.72 84.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.345 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.402 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 48.7 mt-10 -67.8 -18.55 64.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.355 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.414 ' CD1' HD21 ' B' ' 33' ' ' LEU . 5.2 t80 -87.1 -64.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.556 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.492 HG23 ' N ' ' B' ' 76' ' ' VAL . 28.6 m -44.04 -43.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.014 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.511 HG13 ' N ' ' B' ' 77' ' ' LEU . 8.7 p -58.51 -41.83 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.823 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.511 ' N ' HG13 ' B' ' 76' ' ' VAL . 16.6 mt -62.71 -47.84 81.83 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.578 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.445 ' O ' ' OG1' ' B' ' 82' ' ' THR . 52.9 t -52.33 -27.63 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.385 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.59 -19.41 31.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.786 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.7 -64.56 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.197 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.567 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -64.42 -19.86 65.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.165 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 96.5 m -68.56 -53.78 20.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.746 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.21 -24.42 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.691 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.58 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' B' ' 86' ' ' ASN . 2.7 m -94.33 -26.34 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.914 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' B' ' 85' ' ' CYS . 4.0 t-20 -36.46 -55.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.686 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 39.73 44.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.521 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -76.24 -61.3 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.623 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.67 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -70.73 155.1 41.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.59 -24.82 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.687 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.9 tp -71.61 -32.05 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.39 -46.67 87.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.672 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.0 t -81.78 -20.99 38.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.599 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.99 -47.64 74.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.673 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.2 mmm -71.84 -29.73 64.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.683 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 75.5 mm-40 -65.22 -22.25 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.626 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 14' ' ' VAL . 23.0 m -78.09 -45.74 22.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.06 -39.52 86.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.795 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.647 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.59 -37.25 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.327 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.427 HD22 HG23 ' A' ' 12' ' ' ILE . 1.8 m120 -64.06 -60.84 2.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 10' ' ' THR . 28.1 m -54.63 -30.37 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.752 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -61.66 -44.77 96.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -73.35 -31.31 63.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.57 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.43 -29.82 68.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.5 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -94.16 -56.04 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 10.6 t -61.51 -28.48 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.509 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.95 -19.09 0.49 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' SER . 20.8 ptmt -67.01 -167.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -65.86 -172.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.529 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.87 -159.07 51.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 27' ' ' LYS . 58.5 m-20 -69.06 104.04 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.329 . . . . 0.0 110.594 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' O ' ' OG ' ' A' ' 19' ' ' SER . 30.2 mtmm -71.83 -29.2 64.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -71.73 -32.98 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.752 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 40.1 mmtm -115.06 143.01 45.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.699 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.6 tp -98.31 140.02 33.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.39 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.6 p -79.37 165.85 22.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -89.2 -17.56 28.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.651 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -63.09 -59.63 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -64.19 -31.83 73.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' HA ' HD21 ' A' ' 36' ' ' LEU . 44.6 tp -48.71 -45.12 38.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -70.01 -25.4 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.79 -57.35 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.453 HD21 ' HA ' ' A' ' 33' ' ' LEU . 3.1 pp -62.16 -31.17 71.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.074 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.474 ' C ' HE21 ' A' ' 38' ' ' GLN . 8.9 mt -52.62 -48.75 66.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.647 HE21 ' N ' ' A' ' 38' ' ' GLN . 3.5 mm-40 -73.34 -50.34 22.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.872 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.7 m -55.88 -41.42 74.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.696 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -79.0 -10.5 59.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.673 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 mt -129.19 -82.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.661 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' GLN . 25.8 t 56.84 49.49 14.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.98 -47.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -58.74 -26.37 63.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.724 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.596 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -78.84 -12.35 60.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.652 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 58.1 t0 -87.57 7.45 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.693 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.0 63.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.482 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -94.93 112.81 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.686 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -93.95 -65.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 79.2 m-20 -61.11 154.79 22.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.503 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.36 -58.01 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.453 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 15.1 p-10 -50.54 -47.68 57.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.632 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.72 89.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 50' ' ' ASP . 75.1 t -66.73 -28.03 41.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -83.04 -20.12 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.326 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -57.29 -54.03 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.586 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 58' ' ' MET . 13.4 p -62.84 -38.94 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.574 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.465 ' N ' HG13 ' A' ' 57' ' ' VAL . 31.1 tpp -63.93 -34.77 78.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -58.61 -43.04 89.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.87 -40.25 75.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.39 -42.83 87.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.34 -33.15 72.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -48.53 -33.83 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.423 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 1.7 p30 -161.68 -62.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.649 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.423 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . 85.17 11.78 75.13 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.44 18.28 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.26 -160.9 34.78 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -135.69 159.22 42.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.349 . . . . 0.0 110.453 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.08 147.47 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.499 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -89.69 -157.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.561 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -87.32 -56.13 3.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.698 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.431 ' O ' HG23 ' A' ' 76' ' ' VAL . 33.4 mt-30 -58.11 -44.27 87.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.75 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.571 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 40.5 mp0 -71.07 -27.26 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.318 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -68.55 -56.96 6.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.387 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.5 m -51.91 -31.02 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.584 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.49 ' CG2' ' CG2' ' B' ' 76' ' ' VAL . 47.6 t -64.18 -43.09 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.404 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.2 mt -65.72 -40.41 92.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.408 ' O ' HD21 ' A' ' 81' ' ' LEU . 71.0 t -63.26 -29.06 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.683 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.0 -19.4 30.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.773 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.7 -64.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.593 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -60.54 -19.76 58.21 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.911 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.5 m -73.2 -50.52 22.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.685 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.17 -38.65 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.24 -38.13 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.618 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 m -91.9 -33.4 14.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.553 ' ND2' ' CD1' ' A' ' 88' ' ' PHE . 13.9 t-20 -44.74 140.43 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.486 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -150.27 50.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.625 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.553 ' CD1' ' ND2' ' A' ' 86' ' ' ASN . 9.2 m-85 -72.87 -39.36 66.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.593 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.771 -179.77 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.8 m -70.79 155.21 41.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.772 0.32 . . . . 0.0 110.572 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.65 -24.82 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 45.8 tp -71.62 -32.05 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.73 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.38 -46.6 87.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.747 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -81.78 -20.92 38.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.666 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.65 74.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.666 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.2 mmm -71.81 -29.85 64.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.623 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 75.4 mm-40 -65.24 -22.12 66.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.517 ' O ' HG22 ' B' ' 14' ' ' VAL . 23.0 m -78.2 -45.73 22.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.7 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.9 mt -67.04 -39.57 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.748 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.647 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.3 OUTLIER -68.58 -37.31 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.356 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 1.8 m120 -63.9 -60.81 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.517 HG22 ' O ' ' B' ' 10' ' ' THR . 28.2 m -54.74 -30.3 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -61.65 -44.78 96.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.546 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -73.31 -31.32 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.588 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.41 -29.8 68.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.536 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -94.18 -56.14 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 10.5 t -61.44 -28.46 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.556 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.99 -19.1 0.5 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' B' ' 19' ' ' SER . 20.8 ptmt -66.9 -167.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 0.0 110.602 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -65.83 -172.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.507 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.82 -159.08 51.16 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 27' ' ' LYS . 58.6 m-20 -69.14 104.18 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.53 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.475 ' O ' ' OG ' ' B' ' 19' ' ' SER . 30.3 mtmm -71.88 -29.26 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -71.68 -33.07 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' B' ' 24' ' ' ASP . 40.2 mmtm -115.06 143.08 45.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.733 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.4 tp -98.26 139.97 33.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.486 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.3 p -79.38 165.8 22.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -89.09 -17.63 28.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.684 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -63.08 -59.66 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -64.19 -31.85 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.529 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.449 ' HA ' HD21 ' B' ' 36' ' ' LEU . 44.6 tp -48.61 -45.27 37.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.597 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -69.84 -25.51 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.81 -57.3 3.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.047 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' B' ' 33' ' ' LEU . 3.0 pp -62.15 -31.16 71.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.088 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.466 ' C ' HE21 ' B' ' 38' ' ' GLN . 8.9 mt -52.74 -48.64 66.57 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.436 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.643 HE21 ' N ' ' B' ' 38' ' ' GLN . 3.5 mm-40 -73.25 -50.45 22.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.846 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.1 m -55.92 -41.28 74.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.71 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -79.16 -10.45 59.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.3 mt -129.26 -82.84 0.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.485 ' N ' ' O ' ' B' ' 38' ' ' GLN . 25.9 t 56.92 49.44 14.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.591 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.95 -47.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -58.71 -26.45 63.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.717 0.294 . . . . 0.0 110.649 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.596 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -78.81 -12.31 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.617 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 58.1 t0 -87.58 7.39 29.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.692 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.99 63.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -94.97 112.76 24.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.707 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -93.85 -65.06 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.526 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 79.2 m-20 -61.11 154.85 21.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.541 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.39 -58.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.343 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 15.3 p-10 -50.56 -47.69 57.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.694 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.87 89.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' B' ' 50' ' ' ASP . 76.2 t -66.7 -27.99 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -82.91 -20.21 35.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -57.32 -53.97 52.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.539 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.459 HG13 ' N ' ' B' ' 58' ' ' MET . 13.4 p -62.89 -38.89 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.594 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.459 ' N ' HG13 ' B' ' 57' ' ' VAL . 30.9 tpp -63.85 -34.87 78.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -58.63 -43.0 89.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.88 -40.13 75.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.598 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.46 -42.87 86.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -69.3 -33.12 72.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.584 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -48.69 -33.76 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.572 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.417 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 1.7 p30 -161.6 -62.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.65 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.417 ' H ' ' CG ' ' B' ' 64' ' ' ASN . . . 85.16 11.74 75.28 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.34 18.2 1.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.528 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.25 -160.78 34.61 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -135.76 159.19 42.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.799 0.333 . . . . 0.0 110.389 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -137.14 147.39 26.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.504 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -89.64 -157.83 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.66 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -87.23 -56.24 3.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.695 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.433 ' O ' HG23 ' B' ' 76' ' ' VAL . 33.5 mt-30 -58.04 -44.3 87.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.573 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 40.5 mp0 -70.96 -27.2 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.472 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -68.64 -56.96 6.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.326 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.5 m -51.94 -31.0 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.49 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 47.7 t -64.11 -43.14 97.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.63 -40.4 92.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.544 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.414 ' O ' HD21 ' B' ' 81' ' ' LEU . 69.6 t -63.31 -29.23 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.74 -19.49 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.799 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.86 -64.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.339 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.602 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -60.54 -19.9 58.68 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.889 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -73.15 -50.58 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.695 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.09 -38.65 82.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.74 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.18 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.3 m -91.93 -33.5 14.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.556 ' ND2' ' CD1' ' B' ' 88' ' ' PHE . 13.8 t-20 -44.66 140.37 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.525 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -150.21 50.69 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.593 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.556 ' CD1' ' ND2' ' B' ' 86' ' ' ASN . 9.3 m-85 -72.9 -39.21 66.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.682 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.756 -179.853 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 m -92.42 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.467 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 52.6 mp0 -62.55 -23.52 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.554 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.7 tt -74.06 -43.36 58.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.33 -53.72 55.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.7 t -63.73 -21.79 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.682 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -52.59 -46.92 67.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.557 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.7 mmm -70.37 -30.9 67.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.503 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 73.9 mm-40 -67.88 -21.6 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.663 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.6 m -80.56 -33.47 36.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.709 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 14' ' ' VAL . 11.4 mt -72.61 -45.32 59.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.787 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 tt -66.41 -22.58 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 93.3 m-20 -61.8 -40.85 96.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 11' ' ' LEU . 19.3 m -83.26 -24.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.8 -62.86 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.669 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 3.5 p80 -59.8 -33.63 71.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.641 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.669 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -59.57 -44.43 93.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.694 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -80.14 -35.08 37.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.716 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 p -65.69 -26.28 67.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.54 -24.74 48.05 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 22' ' ' GLU . 14.1 ptpt -139.14 173.12 11.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 110.601 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 21' ' ' LYS . 92.0 mt-10 57.54 120.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.54 -144.08 36.54 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 63.5 t0 -67.86 138.3 55.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 16.5 pttp -84.02 36.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -149.27 -44.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -126.45 153.54 44.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.54 151.39 21.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.466 ' HA ' ' H ' ' A' ' 68' ' ' GLU . 59.6 p -86.9 158.8 19.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.645 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.36 -33.53 74.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -57.92 -56.23 24.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.49 ' NE2' ' OE1' ' A' ' 35' ' ' GLU . 24.8 mm100 -57.89 -27.6 63.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.681 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.679 ' O ' HD23 ' A' ' 33' ' ' LEU . 1.2 tt -53.07 -36.56 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.521 ' NZ ' HD12 ' A' ' 61' ' ' LEU . 22.2 mtpp -76.86 -25.28 52.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.49 ' OE1' ' NE2' ' A' ' 32' ' ' GLN . 50.6 tt0 -76.68 -47.04 23.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.33 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 33' ' ' LEU . 3.2 pp -72.35 -28.32 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.316 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 37' ' ' LEU . 9.2 mt -51.99 -62.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.43 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -64.22 -44.78 90.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -56.74 -45.7 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.835 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -71.7 -47.13 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.749 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.4 mp -82.22 -105.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.753 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 2.4 p 80.49 36.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.58 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.89 -56.21 0.03 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.585 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 59.5 m-85 -57.12 -48.53 78.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 110.551 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.15 -21.38 65.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.629 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.52 2.79 46.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.23 29.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.88 140.05 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -89.76 -72.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -80.43 131.71 35.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.75 -42.93 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.432 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.565 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 34.3 p-10 -53.35 -38.18 63.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.688 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.565 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.62 -44.05 91.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.88 -27.16 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -83.0 -20.14 35.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.438 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -58.46 -59.26 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.451 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.92 -34.75 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.558 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.0 ttt -56.19 -37.91 70.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -62.01 -38.27 88.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.04 -41.79 75.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.634 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.521 HD12 ' NZ ' ' A' ' 34' ' ' LYS . 73.2 mt -69.27 -34.08 74.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.625 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.12 -44.6 94.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.571 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -75.34 -45.05 41.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -96.03 34.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.683 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.04 43.56 2.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -87.45 -81.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 110.669 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 168.72 174.45 37.38 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' A' ' 67' ' ' GLY . 98.6 mt-10 56.13 119.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 0.0 110.573 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.0 145.56 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.651 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 42.0 t0 -87.6 150.26 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.438 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.46 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 71.1 t80 -50.73 -44.57 58.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.22 -50.59 72.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.662 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -64.23 -18.48 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.415 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -83.77 -63.79 1.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.623 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.531 HG23 ' N ' ' A' ' 76' ' ' VAL . 35.9 m -49.83 -45.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.942 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.531 ' N ' HG23 ' A' ' 75' ' ' VAL . 6.0 p -59.26 -39.54 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.729 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.444 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.8 tp -65.08 -35.54 81.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.45 ' O ' ' OG1' ' A' ' 82' ' ' THR . 92.4 t -64.31 -27.39 42.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.511 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -86.0 -19.59 30.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.21 -64.96 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.166 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.15 -19.81 64.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.827 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.533 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 45.7 m -69.97 -40.16 75.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.595 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 79' ' ' ALA . 75.1 t -65.78 -37.73 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.645 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.31 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.585 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 27.2 p -98.48 -14.68 19.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -51.09 135.3 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.543 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -142.56 35.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.552 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 43.5 m-85 -79.85 -6.81 58.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.421 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 74.3 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m -92.34 162.77 14.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.486 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 52.6 mp0 -62.6 -23.47 67.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.668 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.7 tt -74.1 -43.32 58.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.423 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.29 -53.75 54.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.707 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 14.7 t -63.66 -21.89 66.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.663 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -52.59 -46.97 67.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -70.28 -30.94 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.469 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 74.0 mm-40 -67.89 -21.56 65.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.666 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.7 m -80.65 -33.4 35.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.482 ' O ' HG22 ' B' ' 14' ' ' VAL . 11.4 mt -72.65 -45.39 59.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.749 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 tt -66.4 -22.5 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.689 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 93.5 m-20 -61.87 -40.79 96.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.482 HG22 ' O ' ' B' ' 11' ' ' LEU . 19.3 m -83.13 -24.26 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.873 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -69.76 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.725 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.673 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 3.5 p80 -59.84 -33.64 72.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.673 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.52 -44.49 93.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -80.17 -35.05 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.0 p -65.67 -26.28 67.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.606 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.64 -24.71 48.71 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 22' ' ' GLU . 14.2 ptpt -139.1 173.08 11.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.637 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' B' ' 21' ' ' LYS . 91.8 mt-10 57.57 120.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.48 -144.03 36.55 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 63.5 t0 -67.85 138.43 56.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.555 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.418 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 16.5 pttp -84.14 36.08 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.514 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -149.19 -44.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.637 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -126.38 153.59 44.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.51 151.48 21.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.463 ' HA ' ' H ' ' B' ' 68' ' ' GLU . 59.5 p -87.0 158.74 19.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.33 -33.52 74.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.773 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -57.9 -56.15 25.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.494 ' NE2' ' OE1' ' B' ' 35' ' ' GLU . 24.8 mm100 -58.05 -27.48 63.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.56 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.669 ' O ' HD23 ' B' ' 33' ' ' LEU . 1.2 tt -53.12 -36.66 61.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.519 ' NZ ' HD12 ' B' ' 61' ' ' LEU . 22.2 mtpp -76.79 -25.3 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.494 ' OE1' ' NE2' ' B' ' 32' ' ' GLN . 50.6 tt0 -76.65 -47.01 23.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.371 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.457 HD21 ' HA ' ' B' ' 33' ' ' LEU . 3.2 pp -72.48 -28.12 62.71 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.305 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' B' ' 37' ' ' LEU . 9.1 mt -52.16 -62.01 1.9 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.363 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -64.29 -44.7 90.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -56.71 -45.82 81.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -71.63 -47.08 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.52 HD12 ' N ' ' B' ' 41' ' ' LEU . 7.3 mp -82.21 -105.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.72 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 2.4 p 80.44 36.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.01 -56.21 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.568 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 59.4 m-85 -56.95 -48.66 77.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.516 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.18 -21.33 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.665 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.48 2.75 46.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.561 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.2 29.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.9 140.04 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.635 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -89.71 -72.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -80.43 131.8 35.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.78 -42.99 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.409 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 34.6 p-10 -53.31 -38.18 62.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.692 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.572 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -64.6 -44.07 91.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.85 -27.25 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.519 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -82.83 -20.28 35.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -58.45 -59.23 5.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.383 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 8.6 p -61.91 -34.71 64.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.0 ttt -56.17 -37.91 70.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -62.06 -38.28 88.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.623 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.04 -41.71 75.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.627 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.519 HD12 ' NZ ' ' B' ' 34' ' ' LYS . 73.6 mt -69.3 -34.16 74.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.65 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -59.98 -44.59 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.39 -44.95 42.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.626 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -96.07 34.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.658 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.02 43.58 2.48 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -87.55 -81.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 168.72 174.44 37.38 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' B' ' 67' ' ' GLY . 98.6 mt-10 56.13 119.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.792 0.329 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.96 145.57 35.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 42.1 t0 -87.61 150.28 23.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.454 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 70.8 t80 -50.67 -44.67 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.653 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -61.13 -50.6 72.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.71 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -64.23 -18.56 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.406 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -83.69 -63.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.604 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.531 HG23 ' N ' ' B' ' 76' ' ' VAL . 35.9 m -49.71 -45.73 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.933 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.531 ' N ' HG23 ' B' ' 75' ' ' VAL . 6.0 p -59.24 -39.66 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.593 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.459 ' N ' HG13 ' B' ' 76' ' ' VAL . 3.8 tp -65.02 -35.56 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.702 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.443 ' O ' ' OG1' ' B' ' 82' ' ' THR . 93.1 t -64.29 -27.44 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.517 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.412 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.86 -19.59 30.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.33 -64.76 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.214 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.604 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.17 -19.96 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.838 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.527 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 46.5 m -69.93 -40.16 75.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.621 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 79' ' ' ALA . 76.7 t -65.66 -37.8 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.706 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.34 -30.34 69.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.568 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 27.1 p -98.46 -14.68 19.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -51.06 135.35 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.542 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -142.61 35.61 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.548 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 43.5 m-85 -79.95 -6.71 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.423 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 74.8 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -141.92 163.85 31.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.462 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.38 -29.57 70.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.702 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' B' ' 40' ' ' GLU . 42.9 tp -70.35 -32.05 69.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.588 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.36 -48.35 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.759 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -77.53 -21.43 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.506 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.78 -43.31 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.5 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.8 mmm -73.22 -32.3 64.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.429 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -65.42 -23.61 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.3 m -75.02 -40.8 60.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.656 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.87 -46.59 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.99 -42.42 94.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.282 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.452 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 55.2 t30 -57.69 -45.86 85.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.646 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -72.0 -35.87 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -51.16 -53.17 37.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.611 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.4 p80 -73.84 -22.18 59.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.707 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.478 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -62.85 -33.21 74.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.762 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -88.96 -35.96 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.33 -36.04 79.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.667 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.16 76.96 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -68.73 -109.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.668 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -90.79 167.26 12.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . 87.98 -155.29 26.36 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 23' ' ' GLY . 14.3 m-20 -58.34 -130.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.49 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -145.11 -40.7 0.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.474 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -114.65 -6.91 12.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.32 154.87 37.05 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tp -121.63 142.72 49.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.498 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -98.37 167.93 10.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.755 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.12 -34.83 71.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.41 -30.55 62.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.71 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -78.67 -34.91 45.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -54.19 -53.91 47.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.46 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -53.95 -25.62 21.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.17 -57.65 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.309 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.65 -32.93 74.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.172 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 37' ' ' LEU . 17.3 mt -50.67 -48.35 58.45 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.534 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.468 ' O ' ' OG ' ' A' ' 42' ' ' SER . 75.8 mt-30 -72.36 -52.84 14.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -56.47 -34.46 66.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.832 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.415 ' HB3' HD23 ' B' ' 4' ' ' LEU . 76.6 mm-40 -82.4 -44.5 16.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.884 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -89.74 -85.48 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 3.5 m 56.82 33.52 23.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.329 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.2 -50.65 0.05 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -64.27 -48.88 74.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.561 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.39 -14.25 61.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 42' ' ' SER . 7.3 m-20 -85.21 1.05 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.85 37.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -74.66 131.04 40.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -93.75 -44.33 8.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -77.04 131.9 38.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 52' ' ' ASP . 7.1 p -101.19 -40.22 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.682 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' N ' HG13 ' A' ' 51' ' ' VAL . 4.0 p30 -65.15 -43.78 90.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.84 98.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.631 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.81 -29.58 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -75.95 -41.43 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -59.61 -54.85 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.592 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 58' ' ' MET . 9.5 p -57.4 -39.78 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.693 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.457 ' N ' HG13 ' A' ' 57' ' ' VAL . 16.1 tpp -73.4 -35.9 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.542 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -63.92 -37.48 87.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -53.86 -36.66 62.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.657 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' GLY . 12.3 mt -73.75 -39.29 64.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.564 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -67.04 -41.35 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.27 -36.57 84.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' ASP . 2.8 m120 -90.75 -69.54 0.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.56 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 40.78 25.09 0.1 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ASN . 64.1 m-20 -157.15 89.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.51 153.99 6.02 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 68' ' ' GLU . 43.9 mp0 -86.98 -175.79 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.49 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.62 150.76 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.453 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.4 t70 -100.0 178.46 4.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.539 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.453 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 67.1 t80 -55.24 -55.06 35.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -58.68 -45.43 89.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.639 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.544 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 17.9 mp0 -70.39 -18.61 63.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.019 0.438 . . . . 0.0 110.413 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.69 -60.99 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.6 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.58 HG23 ' N ' ' A' ' 76' ' ' VAL . 35.6 m -47.81 -47.44 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.963 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.58 ' N ' HG23 ' A' ' 75' ' ' VAL . 11.4 p -54.76 -45.35 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.896 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.565 ' N ' HG13 ' A' ' 76' ' ' VAL . 71.3 mt -59.2 -37.92 78.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.737 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.4 t -67.09 -29.1 45.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.76 -19.48 30.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.42 -64.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.176 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -64.02 -19.81 65.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.949 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.8 m -68.55 -50.62 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.653 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.46 -28.68 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.684 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.84 90.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.78 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.8 t -96.69 -36.66 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.795 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -42.32 -54.07 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.687 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 43.73 57.23 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.537 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -66.51 -75.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.712 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 85.9 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.68 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -141.99 163.8 31.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.482 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.48 -29.43 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.689 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 40' ' ' GLU . 42.7 tp -70.33 -32.08 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.581 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.38 -48.35 70.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.756 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -77.46 -21.48 52.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.626 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.35 62.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.505 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 50.7 mmm -73.2 -32.32 64.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -65.42 -23.61 66.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 24.2 m -75.02 -40.81 60.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.669 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -70.98 -46.48 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.651 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.633 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -61.92 -42.47 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.46 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 55.3 t30 -57.65 -45.87 84.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.677 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 69.8 t -72.0 -35.85 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.708 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -51.19 -53.05 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.7 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.535 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.3 p80 -73.98 -22.05 59.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.703 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.48 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -62.83 -33.28 74.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -89.01 -35.96 16.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.639 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.31 -36.05 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.11 -30.17 77.0 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -68.63 -109.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.621 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -90.82 167.25 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.582 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . 88.03 -155.29 26.3 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' B' ' 23' ' ' GLY . 14.3 m-20 -58.38 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.473 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -145.11 -40.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -114.55 -6.94 12.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.497 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.36 154.78 37.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 tp -121.59 142.72 49.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -98.3 167.92 10.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.792 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.13 -34.88 71.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.34 -30.59 62.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -78.68 -34.91 45.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.817 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -54.17 -53.85 47.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.545 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -54.05 -25.53 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.23 -57.54 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.321 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.84 -32.82 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.166 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -50.64 -48.35 58.17 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.597 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.47 ' O ' ' OG ' ' B' ' 42' ' ' SER . 75.8 mt-30 -72.3 -52.94 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.4 m -56.45 -34.49 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.868 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.425 ' HB3' HD23 ' A' ' 4' ' ' LEU . 76.7 mm-40 -82.41 -44.45 16.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.847 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -89.73 -85.39 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.914 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 3.5 m 56.74 33.61 23.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.332 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.29 -50.63 0.05 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -64.34 -48.9 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.482 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.35 -14.32 61.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' B' ' 42' ' ' SER . 7.3 m-20 -85.17 1.05 49.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.538 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.83 37.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.5 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -74.71 130.95 40.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -93.7 -44.29 8.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -77.03 131.88 38.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.461 HG13 ' N ' ' B' ' 52' ' ' ASP . 7.1 p -101.32 -40.07 7.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.461 ' N ' HG13 ' B' ' 51' ' ' VAL . 4.0 p30 -65.25 -43.71 90.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.634 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.63 98.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.664 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.9 t -68.04 -29.48 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.612 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -75.96 -41.46 51.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -59.57 -54.82 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.584 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.452 HG13 ' N ' ' B' ' 58' ' ' MET . 9.5 p -57.42 -39.69 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.779 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.452 ' N ' HG13 ' B' ' 57' ' ' VAL . 16.0 tpp -73.43 -35.92 65.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.541 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -63.96 -37.45 87.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.595 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -53.93 -36.53 62.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 65' ' ' GLY . 12.3 mt -73.85 -39.3 64.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -66.95 -41.36 87.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.39 -36.39 83.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' B' ' 66' ' ' ASP . 2.8 m120 -90.82 -69.47 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . 40.67 25.17 0.09 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' B' ' 64' ' ' ASN . 64.3 m-20 -157.16 89.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.57 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.38 154.01 6.02 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' B' ' 68' ' ' GLU . 43.9 mp0 -86.95 -175.77 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.467 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.7 150.69 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.3 t70 -99.91 178.51 4.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.445 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 66.8 t80 -55.28 -55.09 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -58.74 -45.31 89.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.733 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 17.8 mp0 -70.44 -18.69 63.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.957 0.408 . . . . 0.0 110.359 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.65 -61.01 1.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.575 HG23 ' N ' ' B' ' 76' ' ' VAL . 35.6 m -47.76 -47.54 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.861 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.58 HG13 ' N ' ' B' ' 77' ' ' LEU . 11.4 p -54.69 -45.34 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.932 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.58 ' N ' HG13 ' B' ' 76' ' ' VAL . 71.0 mt -59.24 -37.88 78.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.746 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 72.5 t -67.16 -29.1 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.628 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.67 -19.53 30.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.55 -64.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.124 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.58 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -64.02 -20.01 65.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.958 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.6 m -68.34 -50.74 51.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.675 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 76.7 t -59.42 -28.71 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.722 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.87 90.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.8 t -96.73 -36.58 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -42.43 -53.92 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.666 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 43.61 57.26 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -66.45 -76.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.66 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 85.7 t80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.588 -179.873 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.736 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -82.75 152.73 25.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.742 0.306 . . . . 0.0 110.585 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.549 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 55.2 mp0 -57.96 -23.14 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.464 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.0 tt -76.74 -42.81 39.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.96 -51.91 67.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -65.69 -22.22 66.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.594 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -53.22 -46.46 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.367 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.5 mmm -69.9 -30.27 67.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.324 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -68.86 -26.54 65.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -78.31 -34.21 48.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.85 -49.46 58.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.16 -22.61 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.577 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -55.74 -40.86 73.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.447 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 84.1 t -84.05 -32.71 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.699 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -57.26 -58.84 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.725 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.534 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.7 p80 -62.41 -21.24 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -67.99 -49.05 63.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.666 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -77.4 -49.39 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.0 p -58.57 -27.85 65.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.503 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.93 -11.75 82.19 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -97.56 -51.35 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.624 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -139.4 154.27 47.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.514 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.39 -175.86 54.54 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' O ' ' A' ' 27' ' ' LYS . 94.0 m-20 -67.89 138.45 56.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 110.485 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -64.57 -44.43 90.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.35 -55.18 11.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' A' ' 24' ' ' ASP . 20.6 mmtm -104.7 146.15 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.563 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 tp -101.56 131.23 47.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.446 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -66.67 139.15 57.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.644 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HZ3' ' HB3' ' A' ' 30' ' ' LYS . 10.1 mtpm? -62.27 -23.51 66.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.464 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -56.38 -37.53 70.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.527 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -71.05 -36.65 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -49.8 -21.32 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.518 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -68.35 -63.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.4 -42.84 61.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.791 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 tp -44.3 -54.04 6.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.413 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -43.77 -65.66 0.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.765 -179.455 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.449 ' O ' ' OG ' ' A' ' 42' ' ' SER . 25.3 mt-30 -65.05 -50.82 64.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.93 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.9 m -44.72 -46.59 10.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -91.43 -50.54 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.219 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.4 mp -103.93 99.87 9.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -120.49 40.76 3.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.867 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.71 -48.08 0.06 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -57.81 -21.68 43.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.638 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -96.9 3.88 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.61 ' N ' HD12 ' A' ' 45' ' ' LEU . 57.1 t0 -103.7 4.65 35.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -151.83 33.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.599 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.632 ' CD ' ' H ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -43.04 94.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' ALA . 21.1 tptp -60.0 -41.24 91.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.469 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -98.52 -141.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.599 HG13 ' N ' ' A' ' 52' ' ' ASP . 10.8 p -168.83 -46.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.599 ' N ' HG13 ' A' ' 51' ' ' VAL . 85.9 m-20 -65.86 -37.79 87.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.614 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -33.53 67.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 57' ' ' VAL . 71.6 t -69.12 -42.02 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.569 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -71.61 -20.15 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.373 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -57.35 -57.84 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.685 HG23 HD12 ' A' ' 77' ' ' LEU . 2.4 p -55.42 -34.02 33.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttm -65.51 -35.43 80.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.629 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.25 -38.54 91.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.629 ' OE2' HD11 ' A' ' 77' ' ' LEU . 43.5 mt-10 -50.72 -41.63 56.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.604 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.607 ' N ' HD12 ' A' ' 61' ' ' LEU . 8.8 mp -65.41 -38.66 90.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -70.24 -31.43 68.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -59.96 -24.95 64.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.578 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -142.93 -72.54 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.06 0.41 69.96 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -151.39 72.23 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 0.0 110.526 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.34 -155.94 7.55 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.11 171.34 14.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.11 -162.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.475 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.423 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 32.0 t0 -144.44 175.89 9.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -58.03 -34.97 70.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.71 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 76' ' ' VAL . 29.5 mt-30 -73.14 -39.05 66.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.423 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 14.1 mp0 -78.49 -27.81 46.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.543 ' O ' HG23 ' A' ' 78' ' ' VAL . 3.4 t80 -66.86 -40.18 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.333 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 72' ' ' GLN . 30.1 m -71.67 -29.04 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.0 t -63.37 -53.56 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.685 HD12 HG23 ' A' ' 57' ' ' VAL . 4.3 mm? -60.85 -33.45 73.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 74' ' ' TYR . 73.9 t -68.41 -38.58 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -78.24 -19.86 52.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.712 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.39 -54.21 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.71 -25.13 68.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -75.39 -49.73 18.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.8 t -60.97 -36.9 75.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.604 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.33 -35.23 62.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.687 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.0 -46.76 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.665 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -55.44 140.5 39.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.632 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -144.67 36.63 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.53 -48.97 79.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -82.76 152.7 25.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.557 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 55.5 mp0 -58.01 -23.08 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.497 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.654 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.0 tt -76.75 -42.88 39.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.91 -51.92 67.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -65.77 -22.18 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.534 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -53.28 -46.3 69.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.431 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 77.6 mmm -70.06 -30.06 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.38 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -69.01 -26.48 65.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.687 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -78.28 -34.23 49.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.67 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.88 -49.52 57.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.755 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.06 -22.64 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.633 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -55.75 -40.86 73.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.663 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.452 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 83.1 t -84.09 -32.68 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -57.32 -58.87 6.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.537 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.8 p80 -62.49 -21.06 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.686 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -67.99 -49.07 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -77.4 -49.43 14.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.681 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.4 p -58.48 -27.81 64.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.02 -11.81 81.98 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -97.53 -51.27 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.712 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -139.37 154.32 47.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.41 -175.85 54.56 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.0 m-20 -67.91 138.51 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.395 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -64.65 -44.43 90.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.794 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.29 -55.23 11.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' B' ' 24' ' ' ASP . 20.5 mmtm -104.66 146.14 29.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.54 131.19 47.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.464 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -66.65 139.07 57.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.671 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.418 ' HB3' ' HZ3' ' B' ' 30' ' ' LYS . 10.1 mtpm? -62.22 -23.48 66.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.439 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -56.35 -37.51 70.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.523 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -71.08 -36.79 72.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.474 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -49.62 -21.4 1.01 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -68.27 -63.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.749 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.45 -42.78 61.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.721 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 tp -44.37 -53.9 6.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' B' ' 41' ' ' LEU . 0.5 OUTLIER -43.89 -65.58 0.49 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.735 -179.485 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.433 ' O ' ' OG ' ' B' ' 42' ' ' SER . 25.3 mt-30 -65.04 -50.86 64.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.962 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 26.7 m -44.69 -46.63 10.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -91.53 -50.48 5.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.122 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' B' ' 37' ' ' LEU . 4.4 mp -103.96 99.91 9.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.842 0.353 . . . . 0.0 110.732 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 0.8 OUTLIER -120.54 40.86 3.4 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 179.83 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.81 -48.07 0.06 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -57.85 -21.69 44.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.624 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.608 HD12 ' N ' ' B' ' 46' ' ' ASP . 0.4 OUTLIER -96.8 3.88 52.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.608 ' N ' HD12 ' B' ' 45' ' ' LEU . 57.2 t0 -103.68 4.57 35.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -151.77 33.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.567 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.627 ' CD ' ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -43.11 94.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.465 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' B' ' 47' ' ' ALA . 21.2 tptp -60.14 -41.1 92.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.489 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -98.52 -141.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.544 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.597 HG13 ' N ' ' B' ' 52' ' ' ASP . 10.7 p -168.83 -46.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.597 ' N ' HG13 ' B' ' 51' ' ' VAL . 85.8 m-20 -65.71 -37.97 87.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.65 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.07 -33.55 68.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.431 ' O ' HG12 ' B' ' 57' ' ' VAL . 72.4 t -69.11 -41.99 81.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.613 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -71.55 -20.29 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.379 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -57.28 -57.9 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.459 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.68 HG23 HD12 ' B' ' 77' ' ' LEU . 2.4 p -55.53 -33.91 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttm -65.56 -35.37 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.675 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.26 -38.6 91.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.632 ' OE2' HD11 ' B' ' 77' ' ' LEU . 43.5 mt-10 -50.67 -41.68 55.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.582 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.61 HD12 ' N ' ' B' ' 61' ' ' LEU . 8.8 mp -65.33 -38.68 90.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.465 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -70.2 -31.48 68.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.509 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -59.93 -24.99 64.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.472 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -142.94 -72.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.448 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.12 0.34 70.08 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -151.37 72.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.474 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.36 -155.94 7.55 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.1 171.31 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.543 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.07 -162.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.429 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 32.3 t0 -144.46 175.86 9.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.561 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -57.95 -35.02 70.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.753 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.555 ' O ' HG23 ' B' ' 76' ' ' VAL . 29.4 mt-30 -73.08 -39.12 66.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.429 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 14.2 mp0 -78.4 -27.8 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.557 ' O ' HG23 ' B' ' 78' ' ' VAL . 3.4 t80 -66.81 -40.3 88.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.284 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 72' ' ' GLN . 30.4 m -71.57 -29.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.59 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.555 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.9 t -63.3 -53.57 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.474 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.68 HD12 HG23 ' B' ' 57' ' ' VAL . 4.3 mm? -60.83 -33.47 73.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.404 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.557 HG23 ' O ' ' B' ' 74' ' ' TYR . 74.2 t -68.37 -38.6 79.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.601 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.415 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -78.22 -19.81 53.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.52 -54.13 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.707 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.65 -25.15 67.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.526 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -75.41 -49.78 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.6 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 79' ' ' ALA . 55.2 t -60.91 -36.94 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.554 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.37 -35.15 62.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.3 t -97.01 -46.88 6.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.678 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -55.31 140.48 39.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.627 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -144.61 36.57 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.46 -49.01 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.568 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.478 ' O ' HG22 ' A' ' 6' ' ' THR . 60.7 p -72.93 155.53 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.695 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.3 -24.91 68.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.468 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.538 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -79.74 -61.73 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -52.5 -44.15 65.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 2' ' ' SER . 6.3 t -69.24 -20.66 63.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.698 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -56.46 -37.23 70.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.747 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -83.87 -25.4 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.744 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.5 -25.29 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.716 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -78.38 -48.04 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.652 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.36 -46.54 82.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.644 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.622 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -60.01 -45.54 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.343 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.508 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 79.6 m-20 -60.33 -41.24 93.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.777 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.4 t -77.11 -29.59 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.721 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -57.84 -51.72 68.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.521 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.9 p80 -75.53 -19.56 59.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -30.77 68.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.35 -49.3 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.6 p -58.58 -36.8 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -61.56 -21.78 60.78 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 20' ' ' GLY . 44.7 tttt -58.63 -136.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.589 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -105.28 133.6 49.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.09 -118.22 2.1 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -69.89 162.62 27.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.567 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -73.43 -63.6 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.563 ' OH ' ' CE2' ' B' ' 89' ' ' PHE . 3.8 m-85 -126.99 -4.94 6.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.627 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -91.65 168.97 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.652 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -131.4 126.13 34.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.415 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.4 p -60.55 155.72 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.57 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HA ' HD23 ' A' ' 33' ' ' LEU . 35.1 ttpt -83.76 -5.63 59.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -78.64 -34.9 46.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -70.51 -25.37 63.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 30' ' ' LYS . 4.0 mm? -47.38 -21.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -76.03 -64.82 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.769 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 39' ' ' THR . 94.4 mt-10 -69.5 -29.81 67.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.91 -50.56 73.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.415 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 41' ' ' LEU . 93.2 mt -68.79 -46.58 68.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.966 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.72 -36.97 81.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.133 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 86.6 m -72.82 -40.43 65.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.956 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -85.02 -50.59 7.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.7 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.3 mp -99.57 96.61 7.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.831 0.348 . . . . 0.0 110.388 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.8 p -123.38 38.42 4.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.441 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.99 -39.26 0.2 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' A' ' 46' ' ' ASP . 62.4 m-85 -67.72 -51.84 44.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 110.452 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.685 HD12 ' C ' ' A' ' 45' ' ' LEU . 2.0 pp -58.34 -0.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.667 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.665 ' N ' HD12 ' A' ' 45' ' ' LEU . 16.4 t70 -97.89 2.74 49.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.14 37.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.545 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -76.96 131.03 38.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -97.42 -78.8 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -50.9 153.17 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.643 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.2 -46.99 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.437 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -52.37 -48.58 65.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.74 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.0 84.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.618 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' ' 57' ' ' VAL . 75.3 t -64.61 -29.37 47.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.602 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -82.95 -20.28 35.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.428 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -53.87 -47.34 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.5 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 58' ' ' MET . 6.7 p -62.22 -40.23 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.466 ' N ' HG13 ' A' ' 57' ' ' VAL . 64.0 mtt -72.49 -24.54 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.39 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -50.59 -37.02 37.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -62.19 -37.09 83.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.35 -34.74 55.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.42 -41.63 98.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.37 -44.29 79.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.485 ' N ' ' ND2' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -172.15 113.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.26 56.11 3.95 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 50.6 p30 -155.41 143.3 19.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.696 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.34 -148.88 18.79 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.536 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -144.58 173.32 11.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.753 0.311 . . . . 0.0 110.454 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.0 t -134.68 133.08 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.63 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.0 t0 -82.65 159.58 22.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.565 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 85.3 t80 -49.87 -51.47 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -59.16 -41.55 88.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.483 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -71.44 -18.44 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.343 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -83.84 -59.19 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.422 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.509 HG23 ' N ' ' A' ' 76' ' ' VAL . 34.0 m -50.81 -44.19 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.968 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 77' ' ' LEU . 9.6 p -63.3 -42.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.855 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.53 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.6 tp -60.96 -38.84 87.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.516 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.435 ' O ' ' OG1' ' A' ' 82' ' ' THR . 75.6 t -62.12 -23.78 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.545 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.96 -19.43 30.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.744 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -64.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -62.86 -19.93 64.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.928 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.494 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 35.4 m -73.77 -43.4 59.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.496 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 79' ' ' ALA . 76.2 t -66.41 -36.46 77.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -35.94 77.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.73 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.513 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 24.4 p -92.33 -29.6 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.745 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 85' ' ' CYS . 39.1 t30 -35.4 -83.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.597 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 85' ' ' CYS . 38.7 m-20 59.67 53.2 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.588 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -72.31 -76.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.444 ' CZ ' ' OH ' ' B' ' 26' ' ' TYR . 67.1 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.75 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.48 ' O ' HG22 ' B' ' 6' ' ' THR . 60.6 p -73.05 155.53 39.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.61 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.27 -24.87 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 0.2 OUTLIER -79.65 -61.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.645 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -52.37 -44.26 65.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.48 HG22 ' O ' ' B' ' 2' ' ' SER . 6.3 t -69.17 -20.84 64.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.673 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -56.45 -37.15 69.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.729 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -83.97 -25.35 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.708 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.6 -25.2 67.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.677 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -78.39 -48.09 16.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.674 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.31 -46.52 83.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.738 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.633 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -60.05 -45.53 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.321 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.505 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 79.1 m-20 -60.33 -41.33 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.753 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -76.96 -29.7 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.723 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -57.79 -51.81 68.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.705 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.521 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 4.8 p80 -75.55 -19.5 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.783 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -30.85 68.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.666 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.35 -49.23 5.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.707 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.6 p -58.63 -36.69 74.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.688 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' B' ' 21' ' ' LYS . . . -61.59 -21.89 60.97 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 20' ' ' GLY . 44.3 tttt -58.52 -136.38 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.801 0.334 . . . . 0.0 110.628 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -105.29 133.53 49.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.13 -118.19 2.09 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -69.86 162.62 27.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 110.599 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -73.48 -63.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.712 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.444 ' OH ' ' CZ ' ' A' ' 89' ' ' PHE . 3.7 m-85 -127.01 -4.95 6.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -91.64 168.93 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.569 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -131.41 126.05 34.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.375 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -60.49 155.72 17.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.428 ' HA ' HD23 ' B' ' 33' ' ' LEU . 35.1 ttpt -83.84 -5.46 59.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -78.69 -34.94 45.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.508 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -70.5 -25.43 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.627 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' B' ' 30' ' ' LYS . 4.0 mm? -47.39 -21.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -75.92 -64.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.4 mt-10 -69.54 -29.71 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.98 -50.49 73.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 41' ' ' LEU . 93.6 mt -68.91 -46.51 68.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.71 -37.02 81.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.143 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 86.1 m -72.75 -40.47 66.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.912 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -85.09 -50.37 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.714 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' B' ' 37' ' ' LEU . 5.3 mp -99.63 96.54 7.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.783 0.325 . . . . 0.0 110.343 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 53.9 p -123.43 38.43 4.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.344 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.03 -39.27 0.2 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.528 ' C ' ' H ' ' B' ' 46' ' ' ASP . 62.4 m-85 -67.66 -51.81 45.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.808 0.337 . . . . 0.0 110.482 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.681 ' C ' HD12 ' B' ' 45' ' ' LEU . 2.0 pp -58.5 -0.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.667 ' N ' HD12 ' B' ' 45' ' ' LEU . 16.5 t70 -97.96 2.85 49.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.473 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.2 37.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -76.93 131.08 38.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -97.4 -78.89 0.47 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.637 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -50.93 153.11 1.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.1 -47.1 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.441 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -52.33 -48.6 65.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.778 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.99 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.71 -29.4 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -82.93 -20.27 35.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.384 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -53.85 -47.4 71.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.461 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.47 HG13 ' N ' ' B' ' 58' ' ' MET . 6.9 p -62.21 -40.22 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.47 ' N ' HG13 ' B' ' 57' ' ' VAL . 64.0 mtt -72.42 -24.59 61.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.466 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -50.52 -37.1 37.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.568 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -62.02 -37.12 83.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.508 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 45.6 mt -77.33 -34.77 55.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.49 -41.55 98.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -67.35 -44.25 79.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.647 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.484 ' N ' ' ND2' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -172.21 113.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.2 56.04 3.97 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 50.6 p30 -155.35 143.36 20.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.25 -148.94 18.79 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 0.1 OUTLIER -144.51 173.35 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.745 0.307 . . . . 0.0 110.505 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.1 t -134.76 133.15 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 47.9 t0 -82.67 159.64 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.484 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.536 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 85.7 t80 -49.93 -51.57 40.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.481 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -59.08 -41.61 88.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -71.31 -18.58 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.356 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -83.65 -59.31 2.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.423 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.519 HG23 ' N ' ' B' ' 76' ' ' VAL . 33.9 m -50.75 -44.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.975 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.531 HG13 ' N ' ' B' ' 77' ' ' LEU . 9.5 p -63.42 -42.77 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.793 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.531 ' N ' HG13 ' B' ' 76' ' ' VAL . 3.6 tp -60.9 -38.82 87.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.622 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.413 ' O ' ' OG1' ' B' ' 82' ' ' THR . 75.6 t -62.18 -23.84 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.522 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.81 -19.47 30.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.784 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.05 -64.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.593 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -62.89 -20.04 64.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.883 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.497 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 34.7 m -73.7 -43.39 59.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 79' ' ' ALA . 76.4 t -66.44 -36.4 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.629 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.81 77.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.741 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' B' ' 82' ' ' THR . 24.5 p -92.31 -29.6 16.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.826 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' B' ' 85' ' ' CYS . 39.0 t30 -35.33 -83.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 85' ' ' CYS . 39.2 m-20 59.74 53.14 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -72.21 -76.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.563 ' CE2' ' OH ' ' A' ' 26' ' ' TYR . 67.0 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.36 161.23 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.33 -35.07 76.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.9 tp -74.34 -36.07 63.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.99 -44.73 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.67 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 t -78.63 -20.85 49.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.658 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.58 -43.58 68.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.4 mmm -74.28 -31.6 62.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.21 -28.8 70.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.0 m -73.12 -34.36 66.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.645 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.05 -57.33 6.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 12' ' ' ILE . 4.0 tt -57.76 -30.48 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.676 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -56.01 -38.06 69.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.498 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.9 t -81.31 -40.35 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.635 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -59.38 -59.09 6.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.528 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -55.67 -29.75 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.501 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.93 85.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -94.38 -22.94 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.609 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 p -61.82 -29.39 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.664 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.59 -146.96 0.12 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt 57.91 -144.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.476 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -83.89 161.93 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.13 -170.24 41.0 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.48 140.13 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.502 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -85.36 -19.68 31.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.628 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -100.54 -43.28 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.651 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -91.6 160.36 15.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -134.01 142.91 47.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.43 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -65.19 160.94 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.499 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' NZ ' ' ND2' ' A' ' 64' ' ' ASN . 33.0 ttmt -90.26 -30.02 17.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.635 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -58.07 -42.68 86.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.607 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -60.07 -32.65 71.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 tp -49.58 -52.45 30.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -61.2 -25.55 67.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -83.87 -49.06 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.216 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -73.86 -26.85 60.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.129 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.65 -64.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.372 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 42' ' ' SER . 50.3 mt-30 -64.38 -52.63 57.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.696 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 m -46.23 -49.04 17.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.619 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.19 -37.94 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.568 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.84 -80.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.754 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' GLN . 4.1 m 51.09 42.41 28.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.535 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.05 -45.03 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -60.2 -32.0 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.782 0.325 . . . . 0.0 110.726 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.67 -26.99 50.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.349 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -77.86 1.88 19.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.493 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.66 46.13 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.14 162.69 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -138.07 -77.76 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 54' ' ' VAL . 88.7 m-20 -49.36 135.21 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.644 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -93.96 -52.25 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.483 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 24.7 p-10 -53.47 -54.82 31.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.671 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.12 -42.91 66.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.711 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 50' ' ' ASP . 87.5 t -67.95 -27.26 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -71.58 -34.6 70.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.755 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.73 -61.89 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.457 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -50.15 -38.74 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.643 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.6 mtt -69.94 -37.18 75.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.513 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -58.32 -36.85 74.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.562 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 70.0 mm-40 -55.73 -38.57 69.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.465 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' GLY . 40.1 mt -71.04 -38.06 72.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.355 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.15 -39.4 93.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.67 -37.28 85.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.586 ' ND2' ' NZ ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -157.37 72.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.773 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -59.19 -39.03 93.99 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.12 131.64 40.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.71 -175.96 32.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -121.81 158.16 29.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.719 0.295 . . . . 0.0 110.596 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.9 156.07 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.554 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -97.66 -173.63 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.494 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 74' ' ' TYR . 50.9 t80 -52.92 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' VAL . 34.1 mt-30 -38.62 -63.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.756 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -47.68 -24.47 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.397 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.54 ' N ' ' O ' ' A' ' 71' ' ' PHE . 2.5 t80 -99.94 -18.52 17.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -78.16 -36.92 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.581 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.532 HG13 ' N ' ' A' ' 77' ' ' LEU . 10.7 p -81.54 -42.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.532 ' N ' HG13 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -49.64 -50.2 44.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.524 -179.816 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.11 -27.58 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.92 -19.45 30.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.99 -65.12 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.229 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.8 pt? -61.25 -20.09 62.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.892 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -69.3 -50.16 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.696 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.98 -32.39 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.06 -19.13 60.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.814 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 m -127.55 28.34 5.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.742 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -68.08 -58.76 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.53 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.4 t30 55.42 47.95 20.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -96.39 -77.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.4 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.611 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.51 161.21 23.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.21 -35.12 76.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 50.0 tp -74.36 -36.07 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.0 -44.64 92.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.743 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.3 t -78.67 -20.8 49.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.647 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.58 -43.59 68.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.4 mmm -74.38 -31.53 62.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.504 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.32 -28.75 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.625 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.7 m -73.11 -34.48 66.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 mt -68.03 -57.28 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.658 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 tt -57.79 -30.56 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -55.91 -38.12 69.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.9 t -81.34 -40.19 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.751 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -59.48 -59.0 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -55.66 -29.82 59.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.0 86.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.518 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -94.36 -22.86 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.655 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.4 p -61.84 -29.35 70.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.64 -146.89 0.12 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt 57.88 -144.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.613 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -83.98 161.91 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.24 -170.25 40.81 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.51 140.06 58.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.804 0.335 . . . . 0.0 110.566 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -85.32 -19.72 31.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -100.4 -43.33 6.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.73 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -91.58 160.29 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.702 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -133.92 142.92 47.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.512 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -65.16 161.02 19.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.585 ' NZ ' ' ND2' ' B' ' 64' ' ' ASN . 33.0 ttmt -90.31 -29.91 17.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -58.18 -42.67 86.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -60.1 -32.59 71.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.506 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 tp -49.62 -52.44 30.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -61.2 -25.55 67.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.436 ' O ' ' OG1' ' B' ' 39' ' ' THR . 79.6 mm-40 -83.83 -49.14 9.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -73.85 -26.75 60.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.119 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.61 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.352 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.482 ' O ' ' OG ' ' B' ' 42' ' ' SER . 50.3 mt-30 -64.36 -52.59 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.74 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 9.4 m -46.2 -49.11 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.14 -37.94 57.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.4 mt -95.9 -80.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.689 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 4.1 m 51.07 42.42 28.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.554 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.13 -44.96 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -60.17 -32.14 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 110.702 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.59 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -77.62 -26.91 50.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.383 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -77.91 1.85 19.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.61 46.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.09 162.64 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -137.96 -77.63 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.645 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.463 ' O ' HG23 ' B' ' 54' ' ' VAL . 88.9 m-20 -49.52 135.35 18.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.606 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -93.94 -52.35 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.467 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 24.8 p-10 -53.4 -54.92 29.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.05 -42.96 66.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.692 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 50' ' ' ASP . 88.7 t -67.97 -27.17 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.598 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -71.51 -34.7 70.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.749 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.67 -61.85 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.51 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -50.25 -38.79 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.603 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 48.5 mtt -69.91 -37.15 75.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -58.29 -36.91 74.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.625 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.559 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 70.1 mm-40 -55.61 -38.63 69.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.508 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' B' ' 65' ' ' GLY . 39.9 mt -71.01 -38.02 72.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.398 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.2 -39.36 93.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.76 -37.16 85.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.681 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.585 ' ND2' ' NZ ' ' B' ' 30' ' ' LYS . 0.1 OUTLIER -157.37 72.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.727 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -59.25 -38.99 94.02 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.09 131.7 40.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.497 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.6 -176.01 32.52 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -121.85 158.18 29.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.789 0.328 . . . . 0.0 110.502 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.94 156.1 25.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -97.71 -173.64 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.55 ' O ' ' N ' ' B' ' 74' ' ' TYR . 50.6 t80 -52.9 -73.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' B' ' 75' ' ' VAL . 34.0 mt-30 -38.49 -63.08 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -47.78 -24.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.55 ' N ' ' O ' ' B' ' 71' ' ' PHE . 2.5 t80 -99.93 -18.57 17.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -78.13 -37.02 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.481 -179.569 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.544 HG13 ' N ' ' B' ' 77' ' ' LEU . 10.7 p -81.41 -42.83 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.544 ' N ' HG13 ' B' ' 76' ' ' VAL . 0.2 OUTLIER -49.78 -50.07 46.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.552 -179.795 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.15 -27.72 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.68 -19.52 30.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.12 -64.88 0.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.221 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.591 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.8 pt? -61.35 -20.21 62.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.871 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -69.21 -50.13 50.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.705 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.03 -32.44 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.04 -19.08 60.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.803 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 m -127.64 28.4 5.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.745 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -68.02 -58.78 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.605 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.5 t30 55.37 47.93 20.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -96.26 -77.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.701 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.5 t80 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.615 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.7 OUTLIER 84.24 125.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 110.637 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -57.99 -34.96 70.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.65 -35.42 76.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.4 -50.47 73.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.677 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.39 -21.23 39.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.725 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.76 -41.33 43.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.469 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.4 mmm -74.66 -30.58 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.596 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.74 -29.42 70.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.0 m -75.04 -34.66 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.05 -56.05 13.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.721 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 tt -61.55 -23.1 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -56.53 -37.77 70.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.699 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.5 t -85.3 -29.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.66 -61.91 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.734 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.516 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.7 p80 -58.18 -20.56 42.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -70.05 -50.61 39.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.673 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -79.85 -38.11 33.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -57.38 -31.38 65.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.37 35.94 4.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 22' ' ' GLU . 80.0 tttt -146.08 115.56 7.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.624 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 21' ' ' LYS . 97.4 mt-10 46.11 100.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.571 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.6 -142.44 13.74 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.59 -178.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 0.0 110.641 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -106.08 -20.92 13.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.729 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -143.52 12.96 1.74 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.811 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -128.75 132.88 47.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.341 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.587 HD11 ' OE1' ' A' ' 32' ' ' GLN . 35.5 tp -97.18 132.54 42.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.592 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.7 p -74.97 165.68 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.554 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.447 ' HZ1' ' H ' ' A' ' 65' ' ' GLY . 9.8 mtmp? -90.28 -5.59 56.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.638 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -81.18 -23.43 38.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.587 ' OE1' HD11 ' A' ' 28' ' ' LEU . 83.7 mt-30 -82.87 -39.5 21.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 37' ' ' LEU . 6.1 mt -45.74 -21.62 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 32' ' ' GLN . 22.1 mtpp -63.1 -61.06 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.801 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.6 -40.69 17.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.728 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -44.35 -53.93 6.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.336 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 33' ' ' LEU . 5.9 mt -52.54 -65.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 0.0 110.96 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -57.68 -55.5 34.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.011 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.9 m -42.61 -49.68 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -73.77 -46.59 44.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.403 ' CD1' HD11 ' A' ' 81' ' ' LEU . 79.9 mt -78.52 -87.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.627 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.423 ' HA ' HD21 ' A' ' 45' ' ' LEU . 1.4 p 62.83 37.49 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.462 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.72 -46.77 0.03 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -65.84 -39.01 90.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.749 0.309 . . . . 0.0 110.621 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.423 HD21 ' HA ' ' A' ' 42' ' ' SER . 2.9 pp -68.77 -14.1 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.56 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -83.65 7.84 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.73 70.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.635 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -93.82 111.73 23.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.627 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -83.47 -62.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -67.4 179.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.571 HG13 ' N ' ' A' ' 52' ' ' ASP . 7.7 p -139.35 -45.84 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.571 ' N ' HG13 ' A' ' 51' ' ' VAL . 4.0 p30 -61.77 -41.43 97.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.653 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.28 62.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.574 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.74 -29.41 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 55' ' ' ASP . 39.1 t0 -82.87 -20.31 35.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.427 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -54.74 -54.04 47.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.412 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 58' ' ' MET . 9.8 p -58.74 -41.79 83.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.517 ' N ' HG13 ' A' ' 57' ' ' VAL . 63.3 mtt -66.22 -39.37 89.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -59.35 -34.52 72.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -51.34 -40.16 58.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.619 ' N ' HD12 ' A' ' 61' ' ' LEU . 9.6 mp -70.33 -40.15 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.66 -40.41 75.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.597 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.73 -9.85 40.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.46 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -139.04 -91.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' H ' ' HZ1' ' A' ' 30' ' ' LYS . . . 94.35 6.07 61.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -177.09 112.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.614 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.48 -155.48 25.04 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -135.4 165.56 25.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.791 0.329 . . . . 0.0 110.49 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 m -139.33 155.95 26.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -97.17 174.68 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.36 -43.45 96.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' VAL . 33.0 mt-30 -62.0 -34.05 75.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -81.02 -24.61 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.63 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.442 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.5 t80 -73.72 -38.71 64.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.483 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.11 -33.36 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.319 . . . . 0.0 110.806 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.8 t -60.54 -51.55 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.699 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.74 -49.99 75.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.437 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 74' ' ' TYR . 74.9 t -52.37 -35.8 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.662 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -20.45 29.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.731 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.33 -64.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.167 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -64.15 -20.19 65.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.973 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 58.7 m -66.95 -53.74 28.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.31 -38.38 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.61 92.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 81.1 m -94.69 10.97 32.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -89.76 111.13 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -100.26 49.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -67.73 -47.9 68.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.588 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 80.2 t80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . 0.538 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 0.7 OUTLIER 84.36 125.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.57 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.11 -34.9 70.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.462 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.71 -35.39 76.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.436 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.42 -50.45 73.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.35 -21.35 39.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.729 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.79 -41.24 44.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.432 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.5 mmm -74.59 -30.73 61.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.581 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.76 -29.4 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.1 m -74.98 -34.79 62.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.03 -56.04 13.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.801 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 tt -61.36 -23.29 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.664 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -56.5 -37.76 70.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.5 t -85.33 -29.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.64 -61.92 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.784 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.524 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 4.8 p80 -58.12 -20.62 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.417 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -69.94 -50.65 39.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.689 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -79.85 -38.12 33.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.747 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -57.39 -31.41 65.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.4 36.06 4.0 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' B' ' 22' ' ' GLU . 80.0 tttt -146.08 115.45 7.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.65 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' B' ' 21' ' ' LYS . 97.4 mt-10 46.13 100.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.628 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.56 -142.49 13.79 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.53 -178.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.629 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -106.12 -20.92 13.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -143.46 12.89 1.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -128.69 132.85 48.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.457 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.599 HD11 ' OE1' ' B' ' 32' ' ' GLN . 35.3 tp -97.14 132.54 42.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 96.3 p -74.98 165.78 24.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.507 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.419 ' HZ1' ' H ' ' B' ' 65' ' ' GLY . 9.8 mtmp? -90.47 -5.54 55.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -81.18 -23.36 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.599 ' OE1' HD11 ' B' ' 28' ' ' LEU . 83.6 mt-30 -82.97 -39.48 21.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.61 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.468 ' O ' HD12 ' B' ' 37' ' ' LEU . 6.1 mt -45.81 -21.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.451 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' B' ' 32' ' ' GLN . 22.1 mtpp -63.27 -60.88 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.69 -40.54 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.753 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -44.44 -53.99 6.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.354 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 33' ' ' LEU . 5.9 mt -52.47 -65.7 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.985 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -57.84 -55.33 36.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.003 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 40.6 m -42.72 -49.56 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -73.8 -46.6 44.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.802 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 79.4 mt -78.53 -87.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.421 ' HA ' HD21 ' B' ' 45' ' ' LEU . 1.4 p 62.68 37.53 12.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.481 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.68 -46.96 0.03 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -65.78 -38.94 90.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.69 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.421 HD21 ' HA ' ' B' ' 42' ' ' SER . 2.9 pp -68.79 -14.09 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -83.71 7.83 16.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.71 70.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -93.78 111.77 23.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -83.57 -62.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -67.44 179.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.529 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.574 HG13 ' N ' ' B' ' 52' ' ' ASP . 7.7 p -139.32 -45.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.615 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.574 ' N ' HG13 ' B' ' 51' ' ' VAL . 4.0 p30 -61.63 -41.48 97.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.635 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.3 -31.21 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.74 -29.38 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 55' ' ' ASP . 39.1 t0 -82.85 -20.38 35.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -54.68 -54.04 46.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.438 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.509 HG13 ' N ' ' B' ' 58' ' ' MET . 9.8 p -58.76 -41.75 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.712 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.509 ' N ' HG13 ' B' ' 57' ' ' VAL . 63.4 mtt -66.34 -39.36 89.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.563 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.29 -34.62 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.481 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -51.33 -40.03 58.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.625 HD12 ' N ' ' B' ' 61' ' ' LEU . 9.6 mp -70.52 -40.02 73.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.634 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.72 -40.45 75.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.508 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.64 -9.97 41.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.486 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -138.9 -91.65 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.419 ' H ' ' HZ1' ' B' ' 30' ' ' LYS . . . 94.33 6.06 61.6 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -176.99 112.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.45 -155.41 24.93 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -135.5 165.56 25.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 110.448 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 m -139.35 155.99 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -97.27 174.57 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.583 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -60.28 -43.47 96.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.685 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.514 ' O ' HG23 ' B' ' 76' ' ' VAL . 33.0 mt-30 -62.01 -34.03 75.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -81.08 -24.59 37.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.594 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.446 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.5 t80 -73.69 -38.81 64.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.436 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -71.02 -33.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.759 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 72' ' ' GLN . 53.7 t -60.52 -51.72 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.649 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.6 -50.01 75.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.474 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 74' ' ' TYR . 74.7 t -52.32 -35.86 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.74 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.79 -20.57 29.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.24 -64.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.587 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -64.37 -20.09 65.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.978 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 58.9 m -66.92 -53.67 29.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.583 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.39 -38.38 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.63 93.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.498 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 80.6 m -94.71 11.03 32.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -89.86 111.05 21.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.66 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -100.2 49.63 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.538 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -67.86 -47.74 68.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' B' ' 89' ' ' PHE . 80.3 t80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 m -75.35 156.76 35.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.511 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -63.12 -26.63 68.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.13 -27.7 55.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.15 -56.11 19.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.732 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 t -78.94 -20.83 48.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.678 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.31 -45.97 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.48 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mmm -72.67 -30.18 64.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.568 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.08 -28.4 69.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.621 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.4 m -73.37 -30.99 63.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.09 -55.27 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.763 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.6 tt -63.01 -25.92 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -55.76 -37.98 69.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.29 -27.52 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.699 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CZ ' ' O ' ' A' ' 70' ' ' ASP . 55.8 t80 -64.96 -62.1 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.725 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.518 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.2 p80 -59.46 -23.69 62.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.453 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -68.08 -38.16 82.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.706 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -89.62 -30.57 18.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.756 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 21' ' ' LYS . 7.8 p -70.17 -20.68 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.22 16.4 4.71 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 19' ' ' SER . 24.5 mtpp -100.28 173.9 6.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.853 0.359 . . . . 0.0 110.569 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.35 146.14 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.678 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.84 -115.22 2.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -72.6 -28.55 62.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 7.7 mtpp 63.63 7.95 3.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.566 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.427 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 82.2 m-85 -154.96 -38.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.582 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -102.04 154.55 18.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.6 tp -104.07 133.38 49.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.46 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 t -61.27 -138.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -140.85 -47.38 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' O ' ' OE1' ' A' ' 35' ' ' GLU . 47.2 mtmt -66.96 -22.73 65.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.507 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -70.43 -27.6 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.794 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.07 -48.24 81.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.768 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -50.7 -25.27 4.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.577 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 10.6 mp0 -83.32 -57.36 3.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.108 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.96 -28.85 68.62 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.903 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mt -54.51 -51.95 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.136 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -72.25 -44.66 62.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.11 -43.99 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -72.7 -39.17 67.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 42' ' ' SER . 89.0 mt -90.57 -101.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.525 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 1.1 t 79.05 41.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.42 -55.91 0.02 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.495 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 56.0 m-85 -62.77 -41.98 99.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.633 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.657 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -67.89 -37.33 81.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.263 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -62.11 -13.68 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.0 65.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.06 134.92 41.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -101.29 -43.64 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.657 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -72.86 149.71 43.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.16 -59.34 3.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.462 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.79 -43.6 63.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.97 86.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.714 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.99 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.647 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.84 -20.3 35.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.395 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -58.7 -47.84 83.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.429 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 57' ' ' VAL . 2.5 p -67.21 -33.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.0 mmm -68.01 -28.98 67.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.55 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -53.7 -35.15 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.611 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 64' ' ' ASN . 86.2 mt-10 -53.1 -39.16 63.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.629 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 mt -62.48 -41.16 98.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -72.24 -46.31 56.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.437 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -74.33 -57.28 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.529 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 60' ' ' GLU . 32.9 m-80 -93.11 -117.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.48 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.19 12.62 83.02 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -147.02 71.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.513 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.78 -160.53 25.49 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -145.77 172.8 12.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.557 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.4 m -134.26 159.93 41.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.519 ' O ' ' CZ ' ' A' ' 15' ' ' PHE . 86.4 m-20 -93.41 -68.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.615 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -166.0 -42.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.679 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 76' ' ' VAL . 35.4 mt-30 -64.39 -47.86 77.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.34 -19.67 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.407 ' CZ ' HG21 ' A' ' 78' ' ' VAL . 7.8 t80 -76.07 -57.89 3.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.339 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 m -52.04 -25.95 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.665 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 72' ' ' GLN . 58.8 t -62.79 -45.11 99.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.636 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 7.6 mp -67.41 -46.67 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.498 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.407 HG21 ' CZ ' ' A' ' 74' ' ' TYR . 98.7 t -53.3 -34.59 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.732 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.63 -19.34 31.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.751 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.77 -64.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.47 -20.02 65.23 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.896 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.412 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 54.4 m -71.45 -43.68 66.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.517 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 79' ' ' ALA . 75.5 t -63.35 -33.99 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.738 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.02 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.709 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 23.6 p -93.17 -43.15 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.674 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.523 ' ND2' ' CE1' ' A' ' 88' ' ' PHE . 9.1 t-20 -39.55 116.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.703 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 89' ' ' PHE . 62.1 t30 -97.89 -72.18 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.514 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.523 ' CE1' ' ND2' ' A' ' 86' ' ' ASN . 20.0 m-85 53.42 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.62 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 46.1 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.64 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -75.37 156.77 35.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.491 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -63.12 -26.62 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.18 -27.65 55.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.22 -56.05 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.781 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -78.95 -20.84 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.656 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.32 -45.97 65.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mmm -72.63 -30.15 64.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.54 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -65.21 -28.43 69.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.1 m -73.29 -30.95 63.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.702 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.18 -55.17 13.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.405 HG21 HD13 ' B' ' 12' ' ' ILE . 3.7 tt -63.12 -25.93 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.758 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -55.76 -37.97 69.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.26 -27.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.685 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' B' ' 70' ' ' ASP . 55.4 t80 -64.91 -62.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.53 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 4.3 p80 -59.39 -23.75 62.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.652 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.457 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -68.1 -38.05 81.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.768 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -89.63 -30.62 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.417 ' C ' ' H ' ' B' ' 21' ' ' LYS . 7.8 p -70.1 -20.75 63.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.711 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.21 16.39 4.71 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' B' ' 19' ' ' SER . 24.6 mtpp -100.34 173.81 6.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 110.6 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.31 146.21 19.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.648 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.82 -115.28 2.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -72.58 -28.47 62.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 0.0 110.534 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.448 ' HZ2' ' HB3' ' B' ' 25' ' ' LYS . 7.7 mtpp 63.68 7.89 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.437 ' CG ' ' O ' ' B' ' 25' ' ' LYS . 82.1 m-85 -154.97 -38.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -102.09 154.39 19.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 46.6 tp -103.91 133.43 48.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.5 t -61.36 -138.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -140.73 -47.4 0.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.517 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.486 ' O ' ' OE1' ' B' ' 35' ' ' GLU . 47.1 mtmt -66.82 -22.89 65.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.553 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -70.39 -27.55 64.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.13 -48.22 81.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.712 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -50.59 -25.38 4.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.587 ' OE1' ' N ' ' B' ' 35' ' ' GLU . 10.6 mp0 -83.22 -57.4 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.94 -28.75 68.54 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.95 -179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -54.7 -51.8 64.41 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.117 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -72.31 -44.65 62.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.12 -43.91 91.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.73 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -72.83 -39.15 66.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' B' ' 81' ' ' LEU . 88.9 mt -90.53 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.466 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 1.0 OUTLIER 79.07 41.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.547 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.38 -55.84 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.562 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 56.0 m-85 -62.82 -41.99 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.699 0.285 . . . . 0.0 110.661 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.658 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -67.9 -37.24 81.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.303 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -62.05 -13.83 30.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.9 65.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.708 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.07 134.9 41.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.466 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.44 ' NZ ' ' O ' ' B' ' 85' ' ' CYS . 13.1 pttm -101.35 -43.66 5.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.584 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -72.83 149.75 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.518 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.17 -59.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.83 -43.51 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.698 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.99 86.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.651 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.01 -31.41 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.88 -20.26 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.364 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -58.66 -47.96 82.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.368 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.23 -33.06 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mmm -68.1 -28.88 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.604 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -53.8 -35.17 61.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' B' ' 64' ' ' ASN . 86.3 mt-10 -52.99 -39.2 62.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.647 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.45 -41.28 98.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -72.2 -46.26 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.445 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -74.36 -57.2 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.556 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' B' ' 60' ' ' GLU . 32.6 m-80 -93.18 -117.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.47 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.13 12.61 83.08 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -147.06 71.58 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.878 0.371 . . . . 0.0 110.47 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.8 -160.57 25.58 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -145.8 172.76 12.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.585 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.1 m -134.24 159.91 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.517 ' O ' ' CZ ' ' B' ' 15' ' ' PHE . 86.2 m-20 -93.44 -68.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -165.92 -42.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.625 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.539 ' O ' HG23 ' B' ' 76' ' ' VAL . 35.4 mt-30 -64.44 -47.85 77.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.717 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.25 -19.74 64.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.412 ' CZ ' HG21 ' B' ' 78' ' ' VAL . 7.8 t80 -76.13 -57.77 3.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.415 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 m -52.01 -26.11 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 72' ' ' GLN . 59.1 t -62.74 -45.06 99.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.625 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.448 ' N ' HD12 ' B' ' 77' ' ' LEU . 7.6 mp -67.36 -46.64 72.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' B' ' 74' ' ' TYR . 98.8 t -53.35 -34.64 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.693 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.493 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.5 -19.49 31.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.751 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.78 -64.7 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.28 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.575 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.56 -20.07 65.34 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.94 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.412 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 53.3 m -71.29 -43.79 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.471 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 79' ' ' ALA . 74.2 t -63.46 -33.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.591 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.04 75.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.71 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 23.4 p -93.12 -43.19 8.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.685 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.529 ' ND2' ' CE1' ' B' ' 88' ' ' PHE . 9.1 t-20 -39.54 116.37 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.648 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' B' ' 89' ' ' PHE . 61.9 t30 -97.92 -72.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.529 ' CE1' ' ND2' ' B' ' 86' ' ' ASN . 20.0 m-85 53.19 -80.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.768 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' B' ' 89' ' ' PHE . 46.2 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.718 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -81.76 162.11 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 52.5 mp0 -59.4 -29.19 67.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.434 HD11 HD23 ' B' ' 11' ' ' LEU . 42.9 tp -68.69 -33.79 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.29 -43.72 97.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.776 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 t -84.09 -20.99 31.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.623 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.88 -41.49 33.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.4 mmm -70.13 -34.79 73.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.59 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.27 -23.3 66.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.602 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.4 m -73.54 -35.13 65.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.669 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD23 HD11 ' B' ' 4' ' ' LEU . 11.0 mt -76.51 -44.67 34.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.642 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -63.58 -39.25 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.365 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.427 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 53.2 t-20 -56.8 -54.94 40.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.03 -32.92 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.721 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -51.37 -52.37 46.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.653 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.509 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 5.1 p80 -74.64 -23.57 58.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.707 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.482 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -65.66 -29.81 70.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.692 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -89.98 -49.21 6.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.811 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.7 t -60.46 -14.4 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.667 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.11 -58.44 2.33 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -60.37 -51.72 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.675 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -139.73 173.05 11.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.624 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.85 -169.44 40.55 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.91 169.35 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -59.52 -65.41 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -104.43 -31.37 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.728 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -82.98 176.99 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.576 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -142.48 133.24 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -84.42 173.69 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.687 -179.818 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' N ' ' OG ' ' A' ' 29' ' ' SER . 57.2 mttm -82.0 -37.56 26.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.665 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -52.58 -38.79 60.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -72.01 -37.34 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.477 HD21 ' CD1' ' A' ' 74' ' ' TYR . 7.2 mt -57.23 -59.33 5.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.668 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -47.68 -25.35 1.17 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.704 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -83.77 -57.38 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.313 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.35 -28.74 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.154 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.37 -52.52 64.27 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.451 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' SER . 85.1 mt-30 -65.82 -38.26 88.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.7 m -65.97 -48.1 72.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.57 -49.21 56.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.797 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.3 mt -76.07 -61.46 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.721 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.6 p 39.52 36.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.577 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.99 -62.89 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -49.35 -44.01 44.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.649 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.25 -26.97 66.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.453 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -78.96 4.07 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.8 -77.28 0.59 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.52 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 52.55 58.05 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -52.51 -42.82 64.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.657 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.73 179.98 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 52' ' ' ASP . 2.9 p -138.29 -41.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 51' ' ' VAL . 90.9 m-20 -63.42 -58.04 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.545 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.23 -39.81 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.579 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.49 -30.54 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.418 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -67.12 -44.02 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.696 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -53.92 -64.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.504 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 58' ' ' MET . 5.6 p -49.49 -40.01 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.607 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.417 ' N ' HG13 ' A' ' 57' ' ' VAL . 6.0 ttp -71.42 -35.44 70.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.88 -27.82 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.745 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -49.02 -37.93 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.645 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.69 -42.64 84.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.17 -40.84 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.524 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.0 -28.9 70.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -128.81 -92.18 0.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.497 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.67 14.27 42.63 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -157.34 47.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 110.546 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.63 155.61 26.65 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 mp0 -92.31 161.33 14.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -131.09 149.98 34.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -95.19 171.22 8.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.589 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.412 ' O ' HG22 ' A' ' 75' ' ' VAL . 68.8 t80 -49.51 -42.8 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.678 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.87 -46.05 83.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.783 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.76 -18.65 63.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.935 0.398 . . . . 0.0 110.245 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.477 ' CD1' HD21 ' A' ' 33' ' ' LEU . 6.1 t80 -82.18 -63.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.459 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.552 HG23 ' N ' ' A' ' 76' ' ' VAL . 28.7 m -45.22 -47.93 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.721 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.552 ' N ' HG23 ' A' ' 75' ' ' VAL . 6.8 p -63.39 -30.04 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.526 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -59.4 -46.69 87.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.446 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.36 -33.83 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.617 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -59.1 -19.56 45.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.31 -63.13 1.47 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.942 0.401 . . . . 0.0 110.187 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.831 HD23 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -54.54 -23.77 17.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.828 179.73 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.831 ' N ' HD23 ' A' ' 81' ' ' LEU . 91.3 m -75.27 -48.45 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.625 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 79' ' ' ALA . 72.5 t -64.46 -28.74 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.04 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 99.1 m -93.69 -42.23 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.571 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -77.27 96.9 4.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.773 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.504 HD22 ' N ' ' A' ' 87' ' ' ASN . 1.1 m-80 -103.08 97.82 7.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.426 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 6.5 t80 -80.25 -18.81 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 31.0 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.529 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -81.79 162.14 23.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.572 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 52.4 mp0 -59.32 -29.33 67.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.593 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.433 HD11 HD23 ' A' ' 11' ' ' LEU . 42.9 tp -68.59 -33.81 74.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.748 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.24 -43.81 97.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -83.93 -21.07 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.683 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.93 -41.48 33.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.554 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 73.3 mmm -70.09 -34.85 73.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.608 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.29 -23.21 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.9 m -73.53 -35.3 65.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.434 HD23 HD11 ' A' ' 4' ' ' LEU . 11.1 mt -76.37 -44.73 35.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.731 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.654 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -63.67 -39.21 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.289 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.421 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 53.2 t-20 -56.71 -55.07 38.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.811 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.98 -32.93 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.769 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -51.39 -52.23 47.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.665 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.516 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 5.1 p80 -74.75 -23.56 58.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.485 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -65.72 -29.65 70.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.759 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -90.05 -49.31 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.726 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -60.42 -14.43 18.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.663 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.14 -58.33 2.34 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -60.43 -51.65 68.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 110.668 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -139.77 173.11 11.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.654 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.81 -169.51 40.72 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.83 169.3 3.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.582 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -59.54 -65.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.718 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -104.33 -31.33 9.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -83.01 177.04 8.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -142.52 133.15 25.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.422 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' B' ' 30' ' ' LYS . 0.3 OUTLIER -84.42 173.64 10.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.787 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.47 ' N ' ' OG ' ' B' ' 29' ' ' SER . 57.2 mttm -81.93 -37.55 26.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.67 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -52.66 -38.61 60.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.653 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -72.19 -37.23 69.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.771 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.471 HD21 ' CD1' ' B' ' 74' ' ' TYR . 7.2 mt -57.24 -59.43 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.649 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -47.5 -25.48 1.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.719 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -83.74 -57.4 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.281 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.33 -28.84 68.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.169 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.19 -52.59 63.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.358 . . . . 0.0 110.432 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' B' ' 42' ' ' SER . 85.2 mt-30 -65.94 -38.19 88.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.699 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.5 m -66.1 -48.11 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.78 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -69.47 -49.3 56.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' B' ' 42' ' ' SER . 75.0 mt -76.0 -61.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.754 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.435 ' N ' ' O ' ' B' ' 38' ' ' GLN . 2.6 p 39.52 36.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.95 -62.83 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -49.3 -44.06 43.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.6 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.15 -27.17 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -78.85 4.13 14.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.622 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.82 -77.34 0.59 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.482 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 52.46 58.12 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.614 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -52.61 -42.78 64.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.88 179.94 6.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.419 HG13 ' N ' ' B' ' 52' ' ' ASP . 2.9 p -138.21 -41.89 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.499 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.419 ' N ' HG13 ' B' ' 51' ' ' VAL . 90.8 m-20 -63.49 -58.04 8.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.496 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.84 70.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.1 t -65.33 -30.55 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.485 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -67.12 -44.13 80.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -53.81 -64.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.512 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.43 HG13 ' N ' ' B' ' 58' ' ' MET . 5.6 p -49.46 -40.04 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.591 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.43 ' N ' HG13 ' B' ' 57' ' ' VAL . 6.0 ttp -71.22 -35.65 71.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.77 -27.85 67.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.756 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -49.02 -37.95 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.666 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 69.5 mt -57.67 -42.73 84.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.488 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -68.14 -40.85 82.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.01 -28.91 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.526 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -128.82 -92.11 0.47 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.437 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.55 14.48 42.77 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -157.5 47.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.58 155.62 26.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.5 mp0 -92.32 161.36 14.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.751 0.31 . . . . 0.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.8 m -131.1 149.98 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -95.19 171.27 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.505 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.415 ' O ' HG22 ' B' ' 75' ' ' VAL . 68.9 t80 -49.52 -42.86 44.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.676 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.8 -46.03 83.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.81 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.81 -18.76 63.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.228 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.471 ' CD1' HD21 ' B' ' 33' ' ' LEU . 6.3 t80 -82.03 -63.95 1.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.571 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.548 HG23 ' N ' ' B' ' 76' ' ' VAL . 28.7 m -45.22 -47.95 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.697 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.548 ' N ' HG23 ' B' ' 75' ' ' VAL . 6.8 p -63.37 -29.97 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.606 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.561 HD13 ' O ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -59.56 -46.55 88.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.472 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.46 -33.75 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.644 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.54 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -59.08 -19.71 46.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.612 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.15 -63.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.813 HD23 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -54.58 -23.71 18.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.866 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.813 ' N ' HD23 ' B' ' 81' ' ' LEU . 91.6 m -75.32 -48.39 23.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 79' ' ' ALA . 72.7 t -64.51 -28.7 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.02 72.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 98.9 m -93.65 -42.17 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -77.32 96.93 4.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.677 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.503 ' N ' HD22 ' B' ' 87' ' ' ASN . 1.1 m-80 -103.06 97.73 7.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.483 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.475 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 6.6 t80 -80.23 -18.71 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.529 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.475 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 31.0 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -146.32 167.9 22.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.47 -27.93 67.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.652 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.3 tt -76.15 -46.22 29.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.488 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -57.93 -48.66 79.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.783 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -69.72 -20.86 63.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.609 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -55.37 -44.59 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.4 mmm -73.6 -30.51 63.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.556 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 78.0 mm-40 -65.76 -20.84 66.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.729 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -82.82 -32.42 27.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.708 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mt -67.55 -46.47 72.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.764 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 tt -66.57 -27.61 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 4.2 m120 -59.36 -39.05 82.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.671 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.504 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 93.2 t -83.56 -27.71 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.702 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -66.24 -62.16 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.542 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.3 p80 -61.43 -12.72 15.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.784 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -59.84 -54.75 42.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.78 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 2.2 p80 -87.19 -40.73 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.653 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -55.0 -31.69 61.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.7 -53.02 26.13 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -62.63 -75.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -126.17 121.69 33.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.461 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.56 -164.4 36.24 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 26' ' ' TYR . 66.3 m-20 -90.25 13.69 14.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.503 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp 57.16 -75.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.538 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' A' ' 24' ' ' ASP . 88.8 m-85 -63.1 -27.15 69.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.497 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -142.41 -172.89 3.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.517 HD21 HE21 ' A' ' 32' ' ' GLN . 3.4 tp -139.96 151.28 45.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.522 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -74.76 160.79 30.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -83.12 -22.59 33.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.598 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -56.23 -41.06 75.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.517 HE21 HD21 ' A' ' 28' ' ' LEU . 26.4 mt-30 -74.39 -29.04 61.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.684 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tp -46.01 -35.83 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.65 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.04 -65.95 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' ' OG1' ' A' ' 39' ' ' THR . 55.3 mp0 -66.41 -42.37 87.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.62 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -47.92 -36.65 12.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.293 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.65 -65.26 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.659 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.406 ' HG2' HD13 ' A' ' 45' ' ' LEU . 65.7 mt-30 -64.09 -51.91 61.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 25.7 m -40.73 -45.25 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.788 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.17 -47.09 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD1' HD11 ' A' ' 81' ' ' LEU . 88.1 mt -74.74 -99.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.545 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.44 ' H ' HD21 ' A' ' 45' ' ' LEU . 1.5 t 74.16 37.39 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.634 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.38 -44.38 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 58.2 m-85 -69.81 -27.78 65.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.585 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -82.47 -4.34 57.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.485 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -85.15 13.19 6.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.59 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.96 -77.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 57.3 51.87 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.609 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -59.38 -37.47 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.95 175.11 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 52' ' ' ASP . 7.0 p -137.61 -42.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.473 ' N ' HG13 ' A' ' 51' ' ' VAL . 90.1 m-20 -61.03 -45.9 92.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.514 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.59 -37.97 73.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.42 -23.81 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.532 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -76.3 -37.5 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -61.16 -56.8 16.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.626 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 58' ' ' MET . 12.2 p -55.41 -38.1 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.524 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.443 ' N ' HG13 ' A' ' 57' ' ' VAL . 33.6 tpp -77.26 -34.07 55.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.98 -34.0 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.583 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -53.47 -44.14 68.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.578 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.41 -35.22 73.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.608 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.14 -37.63 87.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.06 -74.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -149.88 106.1 3.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.08 20.01 45.7 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.71 102.63 10.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.05 -161.2 33.85 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.427 ' CD ' ' OD2' ' A' ' 24' ' ' ASP . 94.0 mt-10 -138.5 143.14 39.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 110.559 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 28' ' ' LEU . 16.1 m -84.42 175.83 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.593 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 72' ' ' GLN . 55.9 p30 -147.37 54.05 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.698 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 74' ' ' TYR . 40.5 t80 60.73 -70.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.716 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' A' ' 70' ' ' ASP . 34.2 mt-30 -47.36 -37.67 11.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.0 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -82.63 -18.72 40.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.701 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.581 ' O ' HG23 ' A' ' 78' ' ' VAL . 4.2 t80 -89.49 -33.15 16.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.6 m -77.69 -36.05 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 77' ' ' LEU . 6.2 p -66.95 -42.0 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.668 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.503 ' N ' HG13 ' A' ' 76' ' ' VAL . 90.6 mt -64.87 -38.57 91.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.686 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 74' ' ' TYR . 45.2 t -57.37 -31.01 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.702 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.51 30.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.186 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.38 -19.85 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.965 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 94.1 m -61.18 -54.76 40.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.644 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.2 t -66.33 -31.13 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.18 -39.32 69.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.701 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.541 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 3.2 m -102.92 -56.94 2.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.731 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' CYS . 51.9 t-20 -36.6 132.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.694 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -121.0 88.53 2.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -85.78 -77.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.679 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -71.14 -38.04 72.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -48.91 -42.74 38.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -146.48 140.74 26.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.465 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -87.89 -75.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.622 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.014 -0.994 . . . . 0.0 110.568 -179.935 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -146.33 167.96 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.303 . . . . 0.0 110.599 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.54 -27.84 67.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.653 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.3 tt -76.26 -46.19 29.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.473 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -57.89 -48.67 79.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.762 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -69.77 -20.87 63.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.63 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -55.38 -44.56 76.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.5 mmm -73.64 -30.52 62.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.553 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 77.9 mm-40 -65.8 -20.82 66.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.713 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -82.82 -32.36 27.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.751 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mt -67.57 -46.5 72.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.793 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 tt -66.46 -27.72 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.748 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 4.2 m120 -59.26 -39.1 81.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.656 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.502 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 92.8 t -83.57 -27.65 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.726 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -66.31 -62.1 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.757 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.535 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.4 p80 -61.4 -12.79 15.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.772 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -59.78 -54.8 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.753 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' B' ' 14' ' ' VAL . 2.2 p80 -87.17 -40.67 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -55.1 -31.66 61.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.589 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.61 -53.09 26.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -62.61 -75.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.571 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -126.17 121.69 33.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 -164.44 36.27 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' B' ' 26' ' ' TYR . 66.2 m-20 -90.17 13.59 14.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.744 0.306 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp 57.22 -75.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.557 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.576 ' N ' ' O ' ' B' ' 24' ' ' ASP . 88.7 m-85 -63.16 -27.15 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.494 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -142.4 -172.82 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.435 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.513 HD21 HE21 ' B' ' 32' ' ' GLN . 3.4 tp -140.02 151.3 45.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -74.78 160.85 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.652 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -83.13 -22.59 33.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' B' ' 31' ' ' LYS . 0.4 OUTLIER -56.3 -40.96 75.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.513 HE21 HD21 ' B' ' 28' ' ' LEU . 26.5 mt-30 -74.4 -29.11 61.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tp -45.95 -35.91 5.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.621 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.04 -65.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.454 ' O ' ' OG1' ' B' ' 39' ' ' THR . 55.2 mp0 -66.41 -42.39 87.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 110.61 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.8 tp -48.01 -36.55 13.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.305 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.76 -65.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.67 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -64.02 -51.95 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 25.9 m -40.75 -45.28 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.17 -47.05 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.464 ' CD1' HD11 ' B' ' 81' ' ' LEU . 88.3 mt -74.78 -99.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.514 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.442 ' H ' HD21 ' B' ' 45' ' ' LEU . 1.5 t 74.18 37.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.655 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.35 -44.34 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.522 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 58.1 m-85 -69.84 -27.79 65.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.32 . . . . 0.0 110.563 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.607 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -82.49 -4.26 57.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.496 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -85.21 13.21 6.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.59 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.02 -77.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 57.29 51.86 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.644 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -59.41 -37.44 78.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.583 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.9 175.04 10.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.484 HG13 ' N ' ' B' ' 52' ' ' ASP . 7.0 p -137.58 -42.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.484 ' N ' HG13 ' B' ' 51' ' ' VAL . 90.1 m-20 -61.01 -45.85 93.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.58 -38.05 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.45 -23.76 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' B' ' 59' ' ' LYS . 39.3 t0 -76.37 -37.44 57.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.589 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -61.15 -56.77 16.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.434 HG13 ' N ' ' B' ' 58' ' ' MET . 12.2 p -55.4 -38.14 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.434 ' N ' HG13 ' B' ' 57' ' ' VAL . 33.6 tpp -77.22 -34.09 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.587 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' B' ' 55' ' ' ASP . 76.1 tttt -57.97 -33.98 69.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.603 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -53.51 -44.17 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.6 mt -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.15 -37.68 88.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.614 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.97 -74.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.495 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 0.2 OUTLIER -149.89 106.11 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.613 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.13 20.04 45.69 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.76 102.62 10.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.764 0.316 . . . . 0.0 110.541 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.05 -161.25 33.91 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.424 ' CD ' ' OD2' ' B' ' 24' ' ' ASP . 94.1 mt-10 -138.48 143.2 39.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.495 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.437 HG22 ' O ' ' B' ' 28' ' ' LEU . 16.1 m -84.44 175.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' B' ' 72' ' ' GLN . 55.9 p30 -147.42 54.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 40.8 t80 60.75 -70.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.72 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' B' ' 70' ' ' ASP . 34.2 mt-30 -47.46 -37.64 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.025 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -82.63 -18.67 40.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.593 ' O ' HG23 ' B' ' 78' ' ' VAL . 4.3 t80 -89.48 -33.18 16.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.404 HG23 ' N ' ' B' ' 76' ' ' VAL . 22.6 m -77.66 -36.07 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.608 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.504 HG13 ' N ' ' B' ' 77' ' ' LEU . 6.2 p -66.92 -42.01 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.704 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.504 ' N ' HG13 ' B' ' 76' ' ' VAL . 90.6 mt -64.86 -38.6 91.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 74' ' ' TYR . 45.5 t -57.38 -31.02 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.732 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.7 -19.67 30.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.81 -64.78 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.184 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.595 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.38 -19.93 65.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.004 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 94.1 m -61.14 -54.74 40.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.7 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.4 t -66.33 -31.16 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.623 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.37 69.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 3.2 m -102.88 -56.93 2.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.695 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' B' ' 85' ' ' CYS . 52.0 t-20 -36.64 132.34 0.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.664 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -121.01 88.52 2.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -85.77 -77.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.688 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -71.13 -38.09 72.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.597 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -48.81 -42.74 37.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -146.5 140.71 26.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.439 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -87.9 -75.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.675 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.585 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -83.97 153.41 23.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 0.0 110.549 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.13 -33.79 73.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.1 tp -69.66 -34.0 73.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.616 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' B' ' 41' ' ' LEU . 95.6 mt-10 -60.86 -50.2 74.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.713 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -78.65 -20.71 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.76 -43.17 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.527 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 84.7 mmm -75.77 -33.7 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.493 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 95.2 mt-10 -63.79 -28.95 70.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.61 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.8 m -74.97 -30.15 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.51 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.92 -51.37 22.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -64.49 -27.31 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 78.1 m-20 -54.54 -37.76 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.566 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 t -85.37 -25.64 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.559 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.72 -59.46 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.622 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.515 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 5.2 p80 -64.49 -20.14 66.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.51 77.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.733 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -79.67 -48.0 14.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.656 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.7 t -55.65 -34.35 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.77 -4.56 14.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -93.16 -132.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.518 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -80.38 158.39 26.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.64 -167.71 31.24 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.22 134.19 50.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.587 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' CD ' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -86.7 -24.85 25.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.96 -39.39 72.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -143.35 158.42 43.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.552 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.459 ' CG ' ' H ' ' A' ' 29' ' ' SER . 4.1 tp -93.55 -142.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.438 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.459 ' H ' ' CG ' ' A' ' 28' ' ' LEU . 74.2 p -154.07 174.17 15.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.565 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.25 -31.82 15.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.82 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 1.9 mptp? -57.72 -57.32 13.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.647 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -64.15 -32.95 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.742 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -54.47 -45.33 73.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.657 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 37' ' ' LEU . 87.1 tttt -63.64 -25.29 68.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -80.07 -50.16 10.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 pp -74.92 -24.12 58.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.981 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 34' ' ' LYS . 4.3 mt -51.76 -58.34 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.278 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.563 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.9 pt20 -69.43 -46.91 65.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.74 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -54.21 -46.21 72.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.776 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.97 -43.48 65.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 74.4 mt -86.2 -73.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.639 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.563 ' N ' ' O ' ' A' ' 38' ' ' GLN . 5.7 t 50.17 60.78 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.476 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.77 -51.78 0.03 OUTLIER Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -62.18 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.626 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.58 -21.48 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.632 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.27 -8.52 55.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.666 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.63 85.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.732 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -98.25 109.25 22.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.433 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -66.55 -49.23 67.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.625 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -95.04 -173.03 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 52' ' ' ASP . 14.6 p -143.9 -35.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.606 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 51' ' ' VAL . 10.8 p-10 -60.32 -41.6 93.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.506 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.01 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.489 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.9 t -70.0 -30.68 45.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -74.67 -39.67 61.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.668 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' NZ ' ' CB ' ' A' ' 56' ' ' LYS . 9.4 mtpm? -58.52 -53.03 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.706 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.01 -39.8 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.7 mtt -72.33 -40.15 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -59.76 -34.35 72.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -45.53 -39.36 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.8 -47.61 85.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.479 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -65.85 -41.26 91.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.648 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -63.8 -34.03 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.6 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.65 88.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.41 51.68 0.92 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -87.68 -16.13 35.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.523 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 89.44 -152.04 22.34 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 67' ' ' GLY . 50.2 mt-10 57.09 117.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.757 0.313 . . . . 0.0 110.637 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.4 134.98 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 49.9 t0 -94.48 161.43 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.525 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 78.9 t80 -53.55 -43.05 68.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.671 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.431 ' O ' HG23 ' A' ' 76' ' ' VAL . 35.8 mt-30 -66.99 -47.26 72.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.682 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.74 -22.61 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.25 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -71.12 -52.74 17.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 72' ' ' GLN . 17.9 m -59.09 -27.36 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.625 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' B' ' 76' ' ' VAL . 53.8 t -67.06 -51.1 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.464 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.12 -42.92 95.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.654 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.7 t -59.61 -31.75 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.95 -19.48 30.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.93 -65.02 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.127 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -62.32 -20.02 63.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.736 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.0 m -68.87 -56.73 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.547 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.19 -27.64 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -13.01 21.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 86' ' ' ASN . 53.2 t -126.32 -33.19 2.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.666 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 85' ' ' CYS . 14.1 t-20 -36.91 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.555 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.2 m120 57.07 55.47 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.579 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -69.24 -72.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.543 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.9 -45.91 91.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.63 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -44.57 99.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.383 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -66.84 -84.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.649 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 55.0 -179.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.593 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -83.97 153.39 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.13 -33.72 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.63 -33.98 73.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 41' ' ' LEU . 95.6 mt-10 -60.8 -50.31 73.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.673 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t -78.59 -20.87 49.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.631 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.75 -43.06 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.512 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 84.7 mmm -75.87 -33.76 60.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.449 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 95.3 mt-10 -63.72 -29.01 70.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.634 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.6 m -74.92 -30.17 61.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.9 -51.38 22.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.756 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -64.51 -27.34 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.685 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 77.9 m-20 -54.58 -37.77 65.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.537 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.5 t -85.29 -25.65 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.628 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.74 -59.43 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.498 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 5.2 p80 -64.49 -20.07 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.58 77.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -79.56 -47.96 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.683 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.0 t -55.81 -34.22 65.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.79 -4.59 14.73 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -93.17 -132.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -80.47 158.43 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.476 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.64 -167.73 31.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.25 134.2 50.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.602 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.522 ' CD ' ' H ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -86.77 -24.73 24.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.552 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.99 -39.43 72.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.528 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -143.37 158.36 43.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.603 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.448 ' CG ' ' H ' ' B' ' 29' ' ' SER . 4.1 tp -93.4 -142.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.576 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.448 ' H ' ' CG ' ' B' ' 28' ' ' LEU . 75.1 p -154.07 174.2 15.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.524 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.25 -31.91 15.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.767 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' B' ' 31' ' ' LYS . 1.9 mptp? -57.64 -57.35 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.672 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -64.27 -32.88 74.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.76 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 tp -54.42 -45.36 72.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.614 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.473 ' HA ' HD12 ' B' ' 37' ' ' LEU . 87.1 tttt -63.56 -25.47 68.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.538 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -79.94 -50.11 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.006 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 pp -74.95 -24.14 58.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.958 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' B' ' 34' ' ' LYS . 4.3 mt -51.83 -58.29 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.249 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' B' ' 42' ' ' SER . 10.0 pt20 -69.52 -46.83 65.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.742 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -54.16 -46.25 72.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.771 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -71.93 -43.56 65.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.407 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 74.6 mt -86.24 -73.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.599 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.556 ' N ' ' O ' ' B' ' 38' ' ' GLN . 5.7 t 50.22 60.84 3.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.47 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.82 -51.79 0.03 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -62.24 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.582 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.6 -21.47 66.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.643 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.29 -8.47 55.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.68 85.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.692 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -98.35 109.31 22.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -66.54 -49.31 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -95.02 -173.1 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.615 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.413 HG13 ' N ' ' B' ' 52' ' ' ASP . 14.6 p -143.92 -35.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.58 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.413 ' N ' HG13 ' B' ' 51' ' ' VAL . 10.7 p-10 -60.22 -41.63 93.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.07 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.9 -30.64 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.584 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -74.72 -39.55 61.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.706 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.409 ' NZ ' ' CB ' ' B' ' 56' ' ' LYS . 9.4 mtpm? -58.66 -53.0 63.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.678 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.02 -39.86 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 51.5 mtt -72.29 -40.15 67.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.587 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -59.74 -34.23 72.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.602 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -45.65 -39.37 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.88 -47.46 86.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -66.0 -41.22 91.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -63.88 -33.94 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.6 88.29 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.714 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.5 51.77 0.91 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -87.75 -16.15 35.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.493 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 89.51 -152.01 22.29 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' B' ' 67' ' ' GLY . 50.2 mt-10 57.15 117.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.585 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.35 135.04 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.9 t0 -94.58 161.36 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.542 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.523 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 78.3 t80 -53.44 -43.13 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG23 ' B' ' 76' ' ' VAL . 35.7 mt-30 -66.87 -47.29 72.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.769 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.71 -22.56 63.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.97 0.414 . . . . 0.0 110.257 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -71.27 -52.67 17.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.417 HG22 ' O ' ' B' ' 72' ' ' GLN . 18.0 m -59.02 -27.5 36.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 54.2 t -67.0 -51.04 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.17 -42.96 96.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 71.9 t -59.56 -31.92 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.51 30.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.04 -64.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.108 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.597 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -62.42 -20.09 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.711 0.291 . . . . 0.0 110.701 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.4 m -68.83 -56.67 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.61 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 91.7 t -58.17 -27.67 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.05 -13.09 22.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' B' ' 86' ' ' ASN . 53.3 t -126.27 -33.18 2.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.632 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' B' ' 85' ' ' CYS . 14.0 t-20 -36.88 -77.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.3 m120 57.08 55.45 6.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -69.21 -72.84 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.85 -45.97 90.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -44.64 99.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -66.92 -84.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 55.03 -179.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.566 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.499 ' HG ' ' CD ' ' A' ' 5' ' ' GLU . 28.9 p -149.06 172.33 14.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.622 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.25 -26.52 66.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.682 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.8 tp -74.18 -33.89 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.603 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.568 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 0.4 OUTLIER -62.68 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.757 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 t -81.31 -20.9 39.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.696 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.02 -43.79 66.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.53 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 79.0 mmm -73.46 -30.95 63.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.02 -30.51 71.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.1 m -78.4 -32.53 48.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.651 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.79 -53.12 44.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.711 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 tt -61.33 -24.53 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -58.02 -37.29 74.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.9 t -85.48 -27.95 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.765 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.59 -59.34 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.6 p80 -62.48 -22.79 66.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.728 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -63.91 -42.29 97.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.698 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -91.47 -24.82 19.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.69 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.1 p -61.0 -27.09 68.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.53 -161.31 27.26 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt 49.22 -111.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.757 0.313 . . . . 0.0 110.61 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -82.76 164.97 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.18 -148.74 19.31 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -85.86 -178.34 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.86 0.362 . . . . 0.0 110.632 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.36 -48.56 69.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.694 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -141.52 3.93 1.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.943 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -106.26 131.82 53.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.468 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.527 ' O ' HG22 ' A' ' 69' ' ' VAL . 4.6 tp -95.4 145.52 25.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.498 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.447 ' HA ' ' H ' ' A' ' 68' ' ' GLU . 85.7 p -97.88 154.48 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.455 ' H ' ' HA2' ' A' ' 67' ' ' GLY . 67.4 mttm -57.99 -27.38 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.65 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -58.12 -27.2 63.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.413 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -76.88 -44.42 32.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.729 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.439 HD13 HD13 ' A' ' 77' ' ' LEU . 6.5 mt -48.1 -21.44 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.382 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -64.52 -62.16 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -79.22 -44.6 21.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.587 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tp -46.15 -57.3 4.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.508 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 37' ' ' LEU . 29.1 mt -43.95 -64.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.234 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.32 -52.23 62.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.849 0.357 . . . . 0.0 111.081 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.4 m -42.79 -46.4 5.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.247 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -91.15 -50.31 5.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.971 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.524 ' O ' HD21 ' A' ' 45' ' ' LEU . 56.6 mt -96.61 97.27 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.468 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 p -128.29 16.55 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.588 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.85 -36.34 1.71 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -66.78 -47.21 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.656 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.621 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -73.22 -13.88 61.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.39 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.67 -33.47 76.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.393 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' GLN . . . -103.09 -44.13 5.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.615 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' ALA . 2.7 pt20 32.49 79.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.973 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -57.76 -40.54 79.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.652 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -103.68 -172.5 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.13 -47.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.69 -42.39 67.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.692 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -44.82 80.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.66 -27.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.663 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -76.72 -37.77 55.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.665 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -61.29 -50.06 74.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.38 -41.44 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.691 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.0 ttp -77.06 -32.56 56.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.615 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' ASP . 52.1 tttp -65.81 -51.18 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.477 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -45.85 -31.01 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.224 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.63 -34.99 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.45 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' LYS . 91.1 m-20 -66.69 -36.79 83.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.785 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.93 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.472 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 1.6 p30 -93.39 -73.82 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.614 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . 51.14 26.58 12.8 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.68 -75.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.731 0.3 . . . . 0.0 110.582 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 156.18 -178.1 32.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 67' ' ' GLY . 49.4 mt-10 54.62 113.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 110.81 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 28' ' ' LEU . 3.9 m -140.57 153.27 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.502 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -93.18 159.79 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.68 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -55.36 -36.05 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.654 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' VAL . 31.0 mt-30 -62.04 -40.49 95.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.728 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -72.73 -31.27 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 0.0 110.454 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -63.57 -51.28 66.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.394 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 m -60.16 -31.31 47.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.55 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 72' ' ' GLN . 46.8 t -63.88 -55.35 22.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.52 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.439 HD13 HD13 ' A' ' 33' ' ' LEU . 13.9 mt -57.46 -42.35 82.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.664 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.464 ' O ' ' OG1' ' A' ' 82' ' ' THR . 56.0 t -57.32 -33.36 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.54 -19.54 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -64.76 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.224 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.575 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -64.24 -19.91 65.69 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.86 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 90.4 m -66.37 -53.69 33.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.709 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.27 -24.97 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.549 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.88 -35.65 77.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.799 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.2 t -102.74 -20.99 14.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.668 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.574 HD22 ' C ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -47.28 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.654 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.4 m120 56.39 46.23 21.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -65.56 -77.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.665 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -68.39 -35.58 77.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.698 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -53.19 98.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.672 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 93' ' ' SER . 78.0 mm-40 -68.73 -31.19 70.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.1 t30 47.08 -91.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.638 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' GLU . 58.6 p . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.561 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.481 ' HG ' ' CD ' ' B' ' 5' ' ' GLU . 29.3 p -148.97 172.44 14.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.633 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.4 -26.44 66.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 58.4 tp -74.21 -33.88 63.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.593 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.572 ' OE1' ' N ' ' B' ' 5' ' ' GLU . 0.4 OUTLIER -62.76 -43.18 99.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.728 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.3 t -81.44 -20.83 39.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.653 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.09 -43.78 67.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.492 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 79.0 mmm -73.52 -30.92 63.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.439 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.14 -30.43 71.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.531 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 76.4 m -78.49 -32.46 48.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -65.87 -53.16 43.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 tt -61.3 -24.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -58.11 -37.18 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.751 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.55 -27.93 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.752 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -65.6 -59.43 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.799 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.532 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.6 p80 -62.44 -22.75 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.77 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.435 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -64.04 -42.19 97.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -91.5 -24.86 19.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.653 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.2 p -60.94 -27.11 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.61 -161.29 27.42 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt 49.18 -111.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 0.0 110.519 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -82.74 164.92 20.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.21 -148.75 19.31 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -85.8 -178.41 6.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.35 . . . . 0.0 110.626 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.34 -48.55 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.668 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -141.57 3.92 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.909 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -106.28 131.7 53.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 110.523 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.517 ' O ' HG22 ' B' ' 69' ' ' VAL . 4.6 tp -95.25 145.53 25.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.494 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.445 ' HA ' ' H ' ' B' ' 68' ' ' GLU . 85.7 p -97.94 154.35 17.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.601 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.461 ' H ' ' HA2' ' B' ' 67' ' ' GLY . 67.4 mttm -57.97 -27.33 63.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.681 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -58.02 -27.27 63.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.435 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -76.94 -44.45 31.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.65 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.443 HD13 HD13 ' B' ' 77' ' ' LEU . 6.5 mt -48.04 -21.5 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.416 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -64.55 -62.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.609 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -79.18 -44.69 21.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tp -46.18 -57.24 4.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.49 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.408 HD12 ' O ' ' B' ' 33' ' ' LEU . 29.1 mt -44.05 -64.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.156 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.39 -52.15 62.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.774 0.321 . . . . 0.0 111.075 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.5 m -42.87 -46.39 5.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.186 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -91.1 -50.38 5.88 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.961 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.529 ' O ' HD21 ' B' ' 45' ' ' LEU . 56.6 mt -96.58 97.15 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.534 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.8 p -128.27 16.67 6.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.91 -36.27 1.71 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -66.73 -47.27 72.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.626 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.605 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -73.23 -13.93 61.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.338 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.62 -33.45 75.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.415 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' B' ' 48' ' ' GLN . . . -103.09 -44.16 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' B' ' 47' ' ' ALA . 2.7 pt20 32.35 80.03 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.925 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.434 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.7 OUTLIER -57.82 -40.52 80.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.639 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -103.73 -172.48 2.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.612 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.12 -47.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.81 -42.38 68.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.617 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.7 -44.86 80.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.68 -27.14 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -76.59 -37.88 55.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.721 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -61.34 -49.93 74.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.49 -41.35 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.664 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 63.9 ttp -77.04 -32.63 57.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.663 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' B' ' 62' ' ' ASP . 52.2 tttp -65.75 -51.16 61.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.585 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -45.88 -30.92 1.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.272 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.72 -35.02 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.393 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' B' ' 59' ' ' LYS . 91.3 m-20 -66.57 -36.87 83.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.752 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.85 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.686 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.473 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 1.6 p30 -93.41 -73.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.473 ' H ' ' CG ' ' B' ' 64' ' ' ASN . . . 51.21 26.59 13.41 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -66.62 -75.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 156.3 -178.15 32.94 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' B' ' 67' ' ' GLY . 49.4 mt-10 54.67 113.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.742 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.517 HG22 ' O ' ' B' ' 28' ' ' LEU . 4.0 m -140.58 153.18 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -93.14 159.83 15.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.729 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -55.35 -36.2 66.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.582 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.503 ' O ' HG23 ' B' ' 76' ' ' VAL . 31.0 mt-30 -61.94 -40.53 95.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.702 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -72.75 -31.31 64.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.418 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.54 -51.38 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.1 m -60.05 -31.26 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.619 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 72' ' ' GLN . 47.0 t -63.93 -55.29 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.53 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.443 HD13 HD13 ' B' ' 33' ' ' LEU . 13.8 mt -57.51 -42.36 82.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.567 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.439 ' O ' ' OG1' ' B' ' 82' ' ' THR . 55.7 t -57.34 -33.46 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.742 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.38 -19.56 31.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.96 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.24 -64.65 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.211 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.576 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -64.25 -20.0 65.76 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.879 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 90.1 m -66.3 -53.8 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.673 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.22 -25.0 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.563 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.81 -35.69 77.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.768 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -102.66 -20.91 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.753 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.574 HD22 ' C ' ' B' ' 86' ' ' ASN . 0.3 OUTLIER -47.43 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.612 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 34.5 m120 56.43 46.18 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.523 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -65.57 -77.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -68.38 -35.74 78.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.648 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -53.08 98.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.564 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' B' ' 93' ' ' SER . 78.0 mm-40 -68.84 -31.26 70.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.471 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 37.2 t30 47.2 -91.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.654 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.472 ' N ' ' O ' ' B' ' 91' ' ' GLU . 58.8 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.571 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -142.37 159.61 41.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.331 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.93 -32.09 71.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.677 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.8 tt -78.48 -42.95 28.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.402 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.84 -42.98 94.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.728 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -77.23 -20.77 54.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.611 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.27 -47.9 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.441 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.8 mmm -70.23 -32.03 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 69.3 mm-40 -65.34 -19.54 66.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -79.89 -45.73 18.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.9 -43.43 83.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.511 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.63 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.52 -42.21 93.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.26 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.1 m120 -54.77 -43.48 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.3 t -76.25 -33.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -54.96 -53.77 51.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.738 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.523 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.4 p80 -71.44 -23.45 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.68 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.488 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -58.93 -38.82 79.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -88.87 -47.32 8.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.7 m -60.82 -39.75 90.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.592 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.78 -32.88 80.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -52.06 149.43 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.521 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -41.45 117.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.478 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.14 -119.53 1.04 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 90.8 m-20 -60.14 158.56 11.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.583 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -84.6 -62.08 1.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.674 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -136.77 24.13 3.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.675 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 46.8 mmtt -130.2 137.38 50.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.717 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 tp -98.26 135.03 40.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -77.51 168.72 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.611 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -86.5 -40.6 15.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.769 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -53.43 -44.44 68.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.608 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.62 -30.04 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 77' ' ' LEU . 6.0 tp -52.81 -50.01 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.626 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.26 -25.5 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.804 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.0 mt-10 -79.17 -41.03 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.54 -26.48 30.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.989 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.23 -57.38 12.04 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HG2' HD13 ' A' ' 45' ' ' LEU . 71.5 mt-30 -68.69 -45.88 70.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 11.0 m -55.86 -46.27 78.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.78 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -73.83 -36.53 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.645 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 42' ' ' SER . 79.6 mt -93.15 -103.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 1.4 p 81.68 33.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.626 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.64 -55.39 0.04 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -57.47 -35.83 70.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.568 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.602 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -80.21 -28.15 38.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -73.4 0.41 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.601 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.54 42.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -70.02 125.79 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.617 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -96.09 -48.64 5.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.542 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -79.25 161.95 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.715 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.4 -35.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.354 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -69.0 -58.12 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.496 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.86 -31.18 66.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.491 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 57' ' ' VAL . 74.8 t -71.16 -22.08 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.649 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -80.36 -37.0 33.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -48.18 -51.45 25.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.709 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 54' ' ' VAL . 4.5 p -53.4 -34.68 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.902 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.7 mtt -73.91 -35.02 64.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.805 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -52.76 -58.79 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.522 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -49.91 -32.7 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.387 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.48 -45.32 65.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.439 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 59.3 t0 -71.43 -38.08 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.605 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -58.16 -32.4 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.41 -103.74 0.41 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.515 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.63 3.46 68.78 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -150.07 71.5 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -173.99 176.87 46.43 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -106.32 175.85 5.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.8 146.7 30.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.24 168.56 11.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -58.97 -38.48 79.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.761 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 76' ' ' VAL . 31.2 mt-30 -70.67 -47.5 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.795 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 1.5 mp0 -70.65 -20.4 62.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 0.0 110.261 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -73.33 -52.96 12.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 72' ' ' GLN . 20.1 m -58.15 -29.76 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.613 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.1 t -63.27 -51.72 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.613 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 33' ' ' LEU . 98.6 mt -57.73 -42.37 83.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.556 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 65.7 t -62.23 -31.17 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.629 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.72 -19.3 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.59 -64.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.75 -19.84 65.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.967 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' ASN . 57.4 m -71.12 -52.01 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.708 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 79' ' ' ALA . 92.4 t -58.77 -36.82 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.665 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.49 95.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.8 m -92.24 -6.18 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 82' ' ' THR . 41.8 t30 -64.26 137.97 58.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.639 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -133.45 36.55 3.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -55.59 -41.76 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -142.94 -15.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -58.03 -9.83 1.56 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.522 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -48.78 153.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 93' ' ' SER . 57.3 t30 -44.44 -34.45 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 92' ' ' ASN . 3.2 t . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -142.33 159.66 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.609 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.93 -32.18 71.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.681 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.8 tt -78.5 -42.91 28.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.443 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -59.83 -42.94 94.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.719 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.1 t -77.23 -20.87 54.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.26 -47.86 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.412 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.9 mmm -70.32 -31.97 69.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 69.3 mm-40 -65.27 -19.66 66.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.533 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -79.95 -45.65 18.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.496 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.6 mt -66.97 -43.35 83.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.619 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -61.62 -42.21 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.148 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.457 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 3.1 m120 -54.74 -43.46 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.527 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 74.8 t -76.31 -33.43 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.87 -53.83 50.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.752 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.53 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.4 p80 -71.35 -23.44 61.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.711 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.484 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.02 -38.8 80.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.467 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -88.78 -47.4 8.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.8 m -60.8 -39.81 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.8 -32.78 80.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -51.89 149.36 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 110.574 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -41.54 117.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.499 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.13 -119.45 1.03 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' B' ' 27' ' ' LYS . 90.8 m-20 -60.12 158.49 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.628 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -84.55 -62.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.709 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -136.79 24.2 3.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.607 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' B' ' 24' ' ' ASP . 46.8 mmtt -130.33 137.34 49.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.639 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.3 tp -98.23 135.09 40.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.469 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -77.65 168.78 19.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.653 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -86.45 -40.74 15.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -53.44 -44.43 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.53 -30.08 70.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.584 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' B' ' 77' ' ' LEU . 6.0 tp -52.85 -50.07 64.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.15 -25.63 66.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.765 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -79.2 -40.99 29.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.014 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.54 -26.47 30.1 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.005 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.22 -57.42 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.365 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -68.65 -45.93 70.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 11.2 m -55.87 -46.16 78.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.773 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -73.97 -36.47 64.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.587 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' B' ' 42' ' ' SER . 79.5 mt -93.07 -103.84 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 1.4 p 81.64 33.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.62 -55.55 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -57.35 -35.86 70.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.603 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -80.24 -28.05 38.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.492 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -73.39 0.31 12.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.5 42.1 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.53 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -69.98 125.81 27.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.556 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -96.09 -48.6 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -79.31 161.88 25.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.63 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.32 -35.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.358 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 0.9 OUTLIER -68.96 -58.16 4.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.436 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.97 -31.07 66.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.521 ' O ' HG12 ' B' ' 57' ' ' VAL . 76.5 t -71.02 -22.34 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.688 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -80.23 -36.95 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.997 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -48.14 -51.42 24.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.521 HG12 ' O ' ' B' ' 54' ' ' VAL . 4.5 p -53.4 -34.76 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.89 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 58.7 mtt -73.82 -35.08 64.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -52.71 -58.86 5.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -49.82 -32.7 14.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.411 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.56 -45.16 65.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.434 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 59.4 t0 -71.65 -38.02 70.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -58.09 -32.42 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.6 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.43 -103.75 0.41 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.64 3.41 68.81 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -150.01 71.49 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.766 0.317 . . . . 0.0 110.485 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -173.99 176.85 46.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -106.33 175.82 5.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.768 0.318 . . . . 0.0 110.624 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.76 146.71 30.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -91.22 168.57 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.531 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.92 -38.44 78.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.469 ' O ' HG23 ' B' ' 76' ' ' VAL . 31.2 mt-30 -70.82 -47.35 59.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.769 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.419 ' CD ' ' N ' ' B' ' 73' ' ' GLU . 1.5 mp0 -70.81 -20.41 62.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.98 0.419 . . . . 0.0 110.185 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -73.3 -52.92 12.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.363 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 72' ' ' GLN . 19.8 m -58.19 -29.74 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.644 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 72' ' ' GLN . 55.0 t -63.15 -51.78 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.459 HD13 ' CD2' ' B' ' 33' ' ' LEU . 98.3 mt -57.71 -42.4 83.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.523 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 65.7 t -62.21 -31.23 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.666 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.427 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.6 -19.38 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.52 -64.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.275 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.565 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.8 -19.97 65.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.908 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.404 ' O ' ' N ' ' B' ' 86' ' ' ASN . 58.2 m -71.12 -51.97 21.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.669 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 79' ' ' ALA . 92.6 t -58.79 -36.81 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.652 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.36 -40.53 96.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.729 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 83.9 m -92.29 -6.08 51.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.701 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' B' ' 82' ' ' THR . 41.8 t30 -64.27 138.01 58.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.69 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -133.5 36.51 3.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -55.52 -41.81 73.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -142.94 -14.97 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.622 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -58.13 -9.77 1.59 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.517 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -48.8 153.54 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.533 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' B' ' 93' ' ' SER . 57.2 t30 -44.39 -34.5 2.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.548 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.413 ' O ' ' O ' ' B' ' 92' ' ' ASN . 3.2 t . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.588 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -69.48 162.12 28.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.332 . . . . 0.0 110.641 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.72 -28.34 69.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -72.61 -30.28 64.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.651 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -67.16 -52.84 36.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.675 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.43 -21.39 63.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.87 76.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.3 mmm -73.98 -31.65 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.542 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.23 -27.25 68.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.642 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.9 m -78.5 -41.1 33.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.729 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.33 -54.44 45.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 13' ' ' ASN . 17.8 tt -59.18 -39.25 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.67 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.447 ' N ' HG23 ' A' ' 12' ' ' ILE . 47.6 t30 -49.21 -37.6 23.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -80.71 -37.09 16.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.562 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -65.4 -60.53 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.529 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.07 -30.89 62.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.439 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.38 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -80.07 -37.24 34.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -66.58 -25.16 66.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.02 93.12 1.59 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -147.66 -96.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -157.96 35.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.53 -139.75 3.51 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.37 86.53 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.738 0.304 . . . . 0.0 110.603 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -69.97 -17.32 63.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.619 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -69.73 -26.45 64.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -142.07 -167.42 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 tp -140.39 149.99 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.624 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.4 p -74.84 170.28 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.619 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -88.82 -33.79 17.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -60.44 -51.58 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.786 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -64.69 -26.66 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.746 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.684 ' O ' HD23 ' A' ' 33' ' ' LEU . 1.3 tt -55.02 -38.31 67.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.566 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -77.3 -25.55 51.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.7 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -70.73 -43.47 68.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.076 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 pp -77.88 -33.3 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.027 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.72 -58.86 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.485 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.53 -49.35 66.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.7 m -55.45 -45.9 76.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.48 -43.78 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' OG ' ' A' ' 42' ' ' SER . 89.9 mt -81.19 -90.18 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.727 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 41' ' ' LEU . 7.8 p 65.49 36.75 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.535 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.1 -62.03 0.02 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -49.22 -47.95 45.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.769 0.319 . . . . 0.0 110.619 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.51 -28.33 69.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 8.3 t0 -72.03 -2.11 17.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.65 55.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.617 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -79.5 138.45 37.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -88.01 -74.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -72.87 144.94 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.557 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -107.59 -38.72 4.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.45 -43.72 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.48 92.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.2 t -66.48 -35.13 74.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.587 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -70.81 -36.15 72.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.654 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.39 -57.46 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.56 -37.14 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.8 mtt -76.1 -36.03 59.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.736 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -60.42 -41.09 93.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.63 -41.09 63.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.59 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.0 mt -76.7 -37.54 55.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -67.18 -38.21 85.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.666 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -55.01 -31.22 60.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.495 ' N ' ' ND2' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.66 71.78 0.44 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.53 -34.22 88.83 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.489 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 51.2 p-10 -75.79 77.55 2.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.781 0.324 . . . . 0.0 110.639 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.5 -166.89 23.1 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -140.76 159.73 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.8 154.38 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -95.89 177.44 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -54.36 -53.72 50.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -57.72 -40.54 79.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.565 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.51 -18.45 61.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.258 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.434 ' CZ ' HG21 ' A' ' 78' ' ' VAL . 3.6 t80 -86.98 -58.93 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.464 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.528 HG23 ' N ' ' A' ' 76' ' ' VAL . 35.0 m -49.13 -44.91 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.528 ' N ' HG23 ' A' ' 75' ' ' VAL . 7.3 p -57.15 -37.04 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.795 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.3 mt -70.33 -39.91 74.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.434 HG21 ' CZ ' ' A' ' 74' ' ' TYR . 84.0 t -61.86 -30.47 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.596 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.4 30.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.66 -64.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.137 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.583 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -62.78 -19.62 64.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.811 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 79.6 m -66.65 -50.59 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.643 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.56 -37.84 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.628 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.55 -35.24 75.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.4 m -93.44 -26.21 17.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 38.4 t-20 -55.5 141.79 35.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 47.2 p-10 -142.97 43.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.565 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -62.6 -69.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.607 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -75.25 -39.84 59.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -54.13 -32.5 55.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 41.75 34.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -79.36 71.99 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.593 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.561 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 72.8 m -69.55 162.1 28.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.345 . . . . 0.0 110.638 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.79 -28.19 69.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -72.61 -30.44 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.567 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -67.08 -52.78 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.48 -21.37 63.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.698 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.31 -45.83 76.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.611 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 31.3 mmm -73.9 -31.74 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.24 -27.14 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.677 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.8 m -78.57 -41.07 32.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.37 -54.41 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.709 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.462 HG23 ' N ' ' B' ' 13' ' ' ASN . 17.8 tt -59.22 -39.28 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.685 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.462 ' N ' HG23 ' B' ' 12' ' ' ILE . 47.6 t30 -49.12 -37.66 22.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 79.3 t -80.68 -37.09 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -65.37 -60.51 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.01 -31.03 62.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.316 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.25 95.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.605 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -80.1 -37.22 34.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.612 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -66.66 -25.15 66.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.46 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.06 93.11 1.59 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -147.63 -96.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.559 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -157.97 35.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.46 -139.67 3.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.34 86.54 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -70.12 -17.23 63.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -69.79 -26.39 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -142.12 -167.46 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.532 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 tp -140.34 149.99 43.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 82.6 p -74.91 170.24 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -88.83 -33.71 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.639 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -60.42 -51.61 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -64.64 -26.71 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.716 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.674 ' O ' HD23 ' B' ' 33' ' ' LEU . 1.3 tt -54.97 -38.28 67.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.602 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -77.38 -25.56 51.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.735 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -70.66 -43.51 69.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 pp -77.87 -33.21 52.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.027 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' B' ' 37' ' ' LEU . 12.9 mt -52.73 -58.79 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.604 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.52 -49.3 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.895 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 28.1 m -55.61 -45.93 77.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.48 -43.65 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.871 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.435 ' O ' ' OG ' ' B' ' 42' ' ' SER . 90.2 mt -81.33 -90.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.656 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' B' ' 41' ' ' LEU . 7.6 p 65.38 36.87 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.25 -61.99 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -49.16 -47.96 45.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.724 0.297 . . . . 0.0 110.601 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.57 -28.28 69.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 8.4 t0 -72.09 -2.06 17.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.7 55.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.641 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -79.45 138.47 37.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.647 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -88.06 -74.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -72.98 144.92 47.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.477 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -107.57 -38.65 4.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.658 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.53 -43.63 98.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.697 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.4 92.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.56 -35.08 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.581 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -70.76 -36.22 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.691 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.28 -57.58 12.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.43 -37.21 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.664 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 46.9 mtt -76.13 -35.95 59.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.698 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -60.58 -41.0 93.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.63 -41.07 63.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 59.3 mt -76.73 -37.63 55.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.5 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -67.09 -38.21 85.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -55.03 -31.25 60.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.633 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.478 ' N ' ' ND2' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -160.6 71.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.41 -34.37 89.15 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 51.1 p-10 -75.74 77.62 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.643 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.52 -166.94 23.2 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -140.78 159.67 41.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.79 154.41 29.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -95.89 177.4 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -54.23 -53.86 47.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -57.57 -40.63 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -72.45 -18.51 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.309 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.441 ' CZ ' HG21 ' B' ' 78' ' ' VAL . 3.5 t80 -87.11 -58.81 2.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.396 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.539 HG23 ' N ' ' B' ' 76' ' ' VAL . 35.0 m -49.2 -44.88 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.821 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.539 ' N ' HG23 ' B' ' 75' ' ' VAL . 7.3 p -57.14 -37.12 54.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.754 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.403 ' N ' HG13 ' B' ' 76' ' ' VAL . 85.5 mt -70.33 -39.87 74.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.66 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.441 HG21 ' CZ ' ' B' ' 74' ' ' TYR . 83.9 t -61.8 -30.58 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.625 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.77 -19.44 30.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.62 -64.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.575 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -62.83 -19.75 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.812 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.7 m -66.48 -50.63 62.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 110.662 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 98.4 t -63.61 -37.68 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.17 75.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.45 -26.23 17.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 38.5 t-20 -55.46 141.8 35.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.465 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 47.1 p-10 -143.0 43.91 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -62.56 -70.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.564 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -75.24 -39.8 59.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 53.5 m95 -54.16 -32.44 55.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 41.65 34.75 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.595 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -79.42 72.03 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.53 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.581 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 p -73.58 158.31 35.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.757 0.313 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -56.72 -26.7 57.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.574 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -76.04 -34.45 59.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.519 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.581 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 48.0 mt-10 -63.0 -45.52 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.711 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 t -77.92 -20.81 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.63 -36.13 64.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.4 mmm -82.61 -32.62 28.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.588 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -61.98 -22.05 65.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.513 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.0 m -76.24 -39.16 55.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.499 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.38 -46.73 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.678 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -58.94 -39.05 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.213 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.405 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 73.3 m-20 -66.2 -44.34 84.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.14 -41.46 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.27 -44.8 65.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.35 -33.35 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.19 76.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.681 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -89.33 -41.75 11.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.673 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 p -64.2 -28.52 69.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.613 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.54 -27.91 59.05 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.75 -175.99 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 110.65 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.76 132.33 51.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.596 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.47 -163.34 25.77 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' A' ' 27' ' ' LYS . 10.6 t70 -70.94 135.59 48.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -82.19 -48.05 11.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.717 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -77.34 -10.97 59.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.584 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 92.2 mttt -143.9 -173.54 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.726 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 28' ' ' LEU . 14.8 tp -134.15 140.04 46.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.399 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.3 p -66.34 173.33 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.499 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -90.42 -26.97 19.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.07 -28.81 66.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.671 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.54 -33.65 75.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.712 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 33' ' ' LEU . 4.3 mm? -53.28 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -53.96 -25.48 20.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -81.4 -56.56 3.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.171 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.33 -37.13 77.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.972 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.4 mt -47.93 -64.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 110.587 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.28 -53.58 53.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -50.21 -38.43 40.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -82.19 -48.66 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 41' ' ' LEU . 5.9 mp -85.9 -81.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.827 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.484 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 4.8 t 56.89 27.0 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.115 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.02 -46.46 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -63.49 -51.1 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.49 -24.28 67.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.894 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' A' ' 42' ' ' SER . 84.0 m-20 -68.3 -5.93 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.415 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.39 71.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -84.01 105.53 14.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.58 -42.97 99.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -105.61 133.25 50.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.3 p -91.24 -30.01 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' A' ' 53' ' ' ALA . 22.4 p-10 -73.23 -54.05 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.719 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -44.55 -49.98 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.646 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.08 -29.16 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -64.02 -36.87 85.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.17 -62.41 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.552 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 58' ' ' MET . 7.5 p -58.42 -38.85 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.54 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.434 ' N ' HG13 ' A' ' 57' ' ' VAL . 10.1 ttp -67.3 -37.33 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.632 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.68 -41.31 99.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -52.1 -38.04 56.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.492 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 65' ' ' GLY . 51.9 mt -69.7 -36.64 76.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.68 -40.3 91.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.42 -35.47 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.447 ' N ' ' ND2' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -164.59 73.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.496 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -54.38 -34.74 54.77 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -88.99 133.53 34.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.575 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.21 -165.53 33.83 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -133.67 156.94 46.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.465 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 m -137.82 151.51 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -93.85 -172.15 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.497 ' CE2' HG11 ' A' ' 75' ' ' VAL . 49.2 t80 -63.3 -54.84 30.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.654 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -56.12 -49.55 73.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.542 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -65.12 -18.35 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.391 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -87.8 -63.48 1.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.637 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.577 HG23 ' N ' ' A' ' 76' ' ' VAL . 34.6 m -48.34 -48.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.896 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.577 ' N ' HG23 ' A' ' 75' ' ' VAL . 6.3 p -59.04 -29.21 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.479 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 77' ' ' LEU . 1.7 tt -73.2 -41.0 64.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.412 ' O ' ' OG1' ' A' ' 82' ' ' THR . 57.2 t -63.08 -27.5 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.72 -19.47 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.75 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.34 -64.68 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.552 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -62.27 -19.39 63.18 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.817 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 51.1 m -73.08 -45.43 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.745 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 79' ' ' ALA . 77.7 t -62.9 -30.99 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.88 -31.68 63.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 t -96.5 -25.12 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.468 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 30.0 t30 -68.13 131.76 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.468 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 94.3 m-20 -149.96 44.33 0.9 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -57.8 -35.22 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.55 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -167.47 22.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.622 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -94.12 28.67 2.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.589 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -56.78 -55.6 32.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -68.69 -36.31 78.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.469 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.578 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.583 ' N ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.5 p -73.64 158.34 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.533 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -56.74 -26.71 57.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.5 tp -75.99 -34.45 59.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' B' ' 1' ' ' GLY . 47.9 mt-10 -63.02 -45.53 91.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.4 t -77.83 -20.94 52.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.52 -36.18 63.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.6 mmm -82.59 -32.7 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.502 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -62.02 -21.93 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.514 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.8 m -76.27 -39.14 55.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.457 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.5 -46.76 53.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.53 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.63 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -58.94 -39.05 76.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.216 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.41 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 73.3 m-20 -66.19 -44.37 84.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.76 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.09 -41.54 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.68 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -52.26 -44.78 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.34 -33.39 75.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.627 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.25 76.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -89.34 -41.64 12.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.719 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.6 p -64.25 -28.46 69.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.66 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.61 -27.82 59.13 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.77 -176.01 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.592 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.78 132.34 51.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.49 -163.27 25.78 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' B' ' 27' ' ' LYS . 10.6 t70 -71.03 135.63 47.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.506 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -82.2 -47.94 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.787 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -77.53 -10.87 59.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.681 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.58 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 92.2 mttt -143.96 -173.57 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.679 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -134.07 140.01 46.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.345 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 55.5 p -66.2 173.38 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.53 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -90.53 -26.82 19.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.656 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.22 -28.73 66.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.618 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.65 -33.57 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.737 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.435 HD22 ' N ' ' B' ' 33' ' ' LEU . 4.3 mm? -53.28 -61.56 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -54.07 -25.44 21.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -81.41 -56.51 4.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.143 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.24 -37.19 77.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.991 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 27.5 mt -47.93 -64.8 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.585 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -62.43 -53.51 53.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 22.2 m -50.14 -38.43 39.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -82.13 -48.76 10.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.985 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 41' ' ' LEU . 6.0 mp -85.88 -81.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.947 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.493 ' O ' ' OG ' ' B' ' 42' ' ' SER . 4.8 t 56.84 27.08 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.104 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.04 -46.37 0.08 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -63.65 -51.07 66.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.42 -24.27 67.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 42' ' ' SER . 83.9 m-20 -68.35 -5.88 21.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.496 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.41 71.48 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.469 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -83.99 105.51 14.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -61.5 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.421 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -105.64 133.29 50.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 14.4 p -91.24 -30.0 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.601 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.411 ' CG ' ' N ' ' B' ' 53' ' ' ALA . 22.4 p-10 -73.21 -54.01 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.726 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' B' ' 52' ' ' ASP . . . -44.64 -50.07 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.54 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.12 -29.09 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.47 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.97 -36.97 85.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.19 -62.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.431 HG13 ' N ' ' B' ' 58' ' ' MET . 7.5 p -58.39 -38.87 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.598 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.431 ' N ' HG13 ' B' ' 57' ' ' VAL . 10.1 ttp -67.27 -37.32 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.657 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.7 -41.35 99.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -52.11 -37.98 55.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.537 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 65' ' ' GLY . 51.8 mt -69.82 -36.58 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.519 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.66 -40.29 91.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.46 -35.35 73.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.469 ' N ' ' ND2' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -164.72 73.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.512 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -54.43 -34.81 55.14 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -89.0 133.54 34.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.26 -165.5 33.84 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -133.67 156.95 46.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.313 . . . . 0.0 110.49 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.81 151.44 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -93.81 -172.08 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.488 ' CE2' HG11 ' B' ' 75' ' ' VAL . 49.4 t80 -63.41 -54.8 31.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.622 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.03 -49.65 73.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -64.96 -18.58 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.389 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -87.63 -63.47 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.635 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.577 HG23 ' N ' ' B' ' 76' ' ' VAL . 33.8 m -48.53 -48.6 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.943 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.577 ' N ' HG23 ' B' ' 75' ' ' VAL . 6.3 p -59.01 -29.2 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.633 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.588 ' O ' HD23 ' B' ' 77' ' ' LEU . 1.7 tt -73.2 -41.04 64.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.98 -27.63 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.59 -19.52 30.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.35 -64.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.282 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.545 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -62.25 -19.57 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 0.0 110.817 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.2 m -72.97 -45.41 58.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 79' ' ' ALA . 78.6 t -62.94 -30.94 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.627 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.99 -31.64 63.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 37.5 t -96.53 -25.02 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.484 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 29.9 t30 -68.12 131.7 45.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' B' ' 86' ' ' ASN . 94.1 m-20 -150.01 44.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -57.8 -35.1 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.637 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -167.55 22.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -94.17 28.78 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.553 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -56.8 -55.55 32.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -68.77 -36.38 78.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.556 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -65.77 150.5 48.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.381 . . . . 0.0 110.54 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 7.3 mp0 -67.12 -30.07 69.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.418 HD11 HD23 ' B' ' 11' ' ' LEU . 6.7 tp -60.36 -29.19 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.624 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.89 -49.01 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.408 ' H ' HG22 ' A' ' 6' ' ' THR . 4.2 t -80.46 -21.0 42.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.753 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.46 -35.7 30.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -83.63 -27.97 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.529 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 99.3 mt-10 -64.82 -27.38 68.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.728 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 m -79.42 -27.26 41.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.723 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.423 HD23 HD11 ' B' ' 4' ' ' LEU . 9.5 mt -71.45 -46.51 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.652 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.2 tt -68.94 -32.0 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.809 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.9 m120 -54.81 -37.28 65.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.706 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -86.21 -23.97 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.811 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -70.15 -63.26 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.734 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.593 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 3.4 p80 -57.2 -29.48 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.593 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -59.05 -43.43 91.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -81.48 -31.7 32.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.706 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p -67.43 -21.53 65.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.699 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.29 19.13 55.09 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' A' ' 22' ' ' GLU . 83.7 tttt -149.11 125.16 10.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.66 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.481 ' O ' ' O ' ' A' ' 21' ' ' LYS . 96.8 mt-10 35.88 96.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.87 -175.05 27.39 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -67.39 -135.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 110.492 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -158.58 -47.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -72.17 -24.98 61.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.454 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -144.08 -176.91 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.51 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -128.98 142.98 50.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.7 p -68.55 166.91 16.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.66 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.494 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 49.9 mttm -89.84 -35.07 15.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.669 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -56.15 -54.43 45.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -61.6 -32.64 72.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.645 ' O ' HD23 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -57.69 -36.84 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.398 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -73.65 -25.32 60.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.51 -42.29 43.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.383 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.77 -24.08 41.75 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.245 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -54.04 -52.55 60.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -69.98 -45.62 66.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -59.99 -41.17 91.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -83.48 -50.27 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.701 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.08 96.8 7.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.5 t -123.93 -6.68 7.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.473 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.32 -15.21 59.1 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -88.55 -25.62 22.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.008 0.432 . . . . 0.0 110.131 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.446 HD23 ' N ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -87.35 -28.24 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.908 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.43 -28.39 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.555 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.39 41.13 3.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.558 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -59.87 132.64 54.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.51 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -90.95 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.455 ' O ' HG23 ' A' ' 54' ' ' VAL . 23.7 m-20 -88.51 145.02 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.577 HG13 ' N ' ' A' ' 52' ' ' ASP . 14.9 p -99.69 -45.32 11.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.677 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.577 ' N ' HG13 ' A' ' 51' ' ' VAL . 76.9 m-20 -67.46 -41.42 84.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.597 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.36 96.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.604 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 50' ' ' ASP . 91.5 t -64.04 -28.84 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.529 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -82.16 -20.1 38.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.419 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -55.59 -55.03 36.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 p -55.6 -35.35 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 47.9 mmm -62.16 -32.75 73.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.375 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -60.29 -39.21 86.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.494 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -56.95 -45.94 82.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -62.93 -38.24 90.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.631 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -58.34 -43.52 88.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.46 -37.64 85.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -94.26 -119.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.89 20.5 50.03 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 55.2 p30 -166.46 72.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.643 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.34 -168.55 37.27 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.6 mp0 -133.06 160.75 36.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.894 0.378 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.494 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 29.9 m -134.31 154.39 37.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -93.0 172.48 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -54.49 -39.53 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.525 ' O ' HG23 ' A' ' 76' ' ' VAL . 31.4 mt-30 -65.47 -44.97 85.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.14 -25.36 62.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.378 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -69.27 -53.41 19.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.382 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 72' ' ' GLN . 19.7 m -56.9 -29.81 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.649 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.9 t -61.47 -47.8 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.682 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.67 -31.59 71.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.704 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.457 ' O ' ' OG1' ' A' ' 82' ' ' THR . 54.2 t -66.67 -30.94 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.701 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.85 -19.37 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.85 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.099 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.53 -20.02 65.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.864 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 39.8 m -68.82 -46.89 67.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.7 t -68.83 -31.32 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.637 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.07 -34.14 59.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.7 t -95.28 -38.03 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.657 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.56 143.8 39.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.676 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -143.9 64.62 1.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.434 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.481 ' C ' ' H ' ' A' ' 90' ' ' TRP . 29.6 t80 -90.38 -65.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.748 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.684 ' CE2' ' NE1' ' A' ' 90' ' ' TRP . 4.9 p90 -70.34 12.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.748 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.684 ' NE1' ' CE2' ' A' ' 89' ' ' PHE . 49.8 m95 -97.59 -56.16 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.576 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -88.83 139.58 30.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.59 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 56.4 42.28 27.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.521 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.7 t . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.582 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -65.71 150.43 48.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.331 . . . . 0.0 110.585 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.523 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 7.3 mp0 -67.1 -30.07 69.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.423 HD11 HD23 ' A' ' 11' ' ' LEU . 6.7 tp -60.29 -29.21 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.674 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.83 -48.99 79.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.1 t -80.52 -21.04 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.716 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.34 -35.79 29.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 80.7 mmm -83.6 -28.01 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.582 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.522 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 99.3 mt-10 -64.76 -27.34 68.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.749 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.4 m -79.4 -27.24 41.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.418 HD23 HD11 ' A' ' 4' ' ' LEU . 9.5 mt -71.46 -46.63 59.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.3 tt -68.86 -32.02 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.752 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.9 m120 -54.8 -37.23 65.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.75 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.9 t -86.24 -23.96 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.783 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -70.12 -63.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.755 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.602 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 3.3 p80 -57.28 -29.32 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.769 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.602 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.16 -43.51 92.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.755 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -81.45 -31.64 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.673 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.3 p -67.46 -21.58 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.629 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.23 19.1 55.2 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 22' ' ' GLU . 83.7 tttt -149.09 125.16 10.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.658 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' B' ' 21' ' ' LYS . 96.8 mt-10 35.81 96.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.788 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.83 -175.06 27.34 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -67.39 -135.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.512 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -158.62 -47.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.626 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -72.22 -24.94 61.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -144.08 -176.87 5.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.556 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tp -128.99 143.01 50.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.503 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 75.2 p -68.6 166.91 16.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.653 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.493 ' NZ ' ' CG1' ' B' ' 69' ' ' VAL . 49.9 mttm -89.83 -34.99 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -56.28 -54.33 46.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -61.59 -32.67 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.56 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.641 ' O ' HD23 ' B' ' 33' ' ' LEU . 1.0 OUTLIER -57.63 -36.85 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.487 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -73.52 -25.44 60.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.52 -42.18 44.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.416 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.86 -24.13 41.46 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.23 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 37' ' ' LEU . 9.1 mt -53.95 -52.56 60.26 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -70.05 -45.53 66.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.2 m -59.91 -41.37 91.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -83.37 -50.3 8.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.74 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.12 96.85 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.442 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.4 t -124.0 -6.65 7.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.34 -15.27 58.98 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -88.43 -25.7 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.966 0.412 . . . . 0.0 110.107 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.449 HD23 ' N ' ' B' ' 45' ' ' LEU . 0.8 OUTLIER -87.38 -28.22 22.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.904 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -63.42 -28.39 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.563 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.38 41.07 3.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.615 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -59.77 132.49 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.526 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -90.88 -62.08 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.459 ' O ' HG23 ' B' ' 54' ' ' VAL . 23.8 m-20 -88.64 145.07 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.562 HG13 ' N ' ' B' ' 52' ' ' ASP . 14.9 p -99.67 -45.41 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.562 ' N ' HG13 ' B' ' 51' ' ' VAL . 77.0 m-20 -67.42 -41.47 84.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.591 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.34 97.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.616 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 50' ' ' ASP . 91.3 t -64.1 -28.76 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.544 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -82.22 -20.12 38.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -55.49 -55.06 36.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.498 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.65 -35.32 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 47.6 mmm -62.2 -32.79 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.355 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -60.26 -39.18 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.559 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -57.02 -45.8 82.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -62.97 -38.31 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -58.3 -43.57 88.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.73 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.36 -37.65 85.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -94.37 -119.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.556 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.89 20.53 49.98 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 55.1 p30 -166.47 72.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.825 0.345 . . . . 0.0 110.607 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.3 -168.53 37.22 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -133.02 160.75 36.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.481 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.493 ' CG1' ' NZ ' ' B' ' 30' ' ' LYS . 30.0 m -134.38 154.4 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.498 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -93.04 172.54 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -54.5 -39.53 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.521 ' O ' HG23 ' B' ' 76' ' ' VAL . 31.4 mt-30 -65.48 -44.96 85.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.07 -25.41 62.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -69.27 -53.45 19.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.364 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.414 HG22 ' O ' ' B' ' 72' ' ' GLN . 19.7 m -56.82 -29.87 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.644 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.2 t -61.51 -47.76 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.654 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.71 -31.52 71.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' B' ' 82' ' ' THR . 54.2 t -66.67 -31.06 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.658 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.61 -19.57 30.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.84 -64.75 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.217 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.586 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.63 -20.03 65.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.781 0.324 . . . . 0.0 110.855 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 39.5 m -68.84 -46.86 67.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.2 t -68.89 -31.32 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.573 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.16 -34.05 59.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.637 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 51.5 t -95.35 -37.89 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.637 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.58 143.9 39.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -143.93 64.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.441 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.478 ' C ' ' H ' ' B' ' 90' ' ' TRP . 29.7 t80 -90.32 -65.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.741 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.682 ' CE2' ' NE1' ' B' ' 90' ' ' TRP . 4.9 p90 -70.21 12.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.682 ' NE1' ' CE2' ' B' ' 89' ' ' PHE . 49.6 m95 -97.65 -56.21 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.517 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -88.76 139.57 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.637 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 56.35 42.25 27.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.583 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -149.9 167.54 26.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.785 0.326 . . . . 0.0 110.579 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -59.21 -34.79 72.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.78 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.9 tm? -74.49 -48.92 24.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.269 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.488 ' OE2' ' O ' ' B' ' 41' ' ' LEU . 97.1 mt-10 -55.96 -53.03 61.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.678 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -65.02 -23.14 67.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -50.74 -52.44 40.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.637 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -68.39 -30.9 69.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.79 -29.4 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 m -76.87 -32.61 57.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.82 -53.67 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.704 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -58.79 -25.37 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.572 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 58.7 t30 -61.87 -37.3 84.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.701 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -85.46 -28.52 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.22 -63.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.539 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.3 p80 -61.39 -21.04 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.655 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -64.93 -44.14 90.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.733 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -90.39 -21.24 22.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.666 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -62.97 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.688 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.29 59.53 0.36 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -158.56 -81.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.766 0.317 . . . . 0.0 110.707 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.54 -43.55 8.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.593 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . -69.44 -168.75 6.23 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 25' ' ' LYS . 21.8 t70 -56.35 -120.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.527 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' N ' ' OD2' ' A' ' 24' ' ' ASP . 51.2 tttm -145.48 -36.1 0.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -109.14 -13.71 14.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -144.06 155.35 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -106.07 150.3 25.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.616 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -87.78 149.81 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' A' ' 68' ' ' GLU . 23.2 mtmm -68.84 -27.25 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -52.29 -38.72 59.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.27 -29.61 26.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HA ' HD21 ' A' ' 36' ' ' LEU . 56.2 tp -51.83 -36.45 48.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -78.69 -25.45 44.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.32 -46.6 15.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.072 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' A' ' 33' ' ' LEU . 3.1 pp -74.96 -25.97 59.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.975 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mt -54.32 -53.56 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' SER . 42.8 mt-30 -69.42 -47.35 64.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.5 m -57.98 -45.48 86.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -70.41 -43.01 70.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.742 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 67.4 mt -86.37 -76.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.9 m 54.09 54.21 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.54 -49.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.478 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 46.2 m-85 -60.72 -25.28 66.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -83.06 -19.54 36.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.424 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.83 9.47 6.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.611 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.507 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -166.34 74.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.582 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -96.02 130.33 43.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.542 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.55 -77.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.611 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.488 ' O ' HG23 ' A' ' 54' ' ' VAL . 67.5 m-20 -74.24 134.35 42.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.634 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 52' ' ' ASP . 9.1 p -88.83 -37.2 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.673 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.507 ' CG ' ' N ' ' A' ' 53' ' ' ALA . 16.7 p-10 -64.02 -56.15 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.657 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.507 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -53.65 -40.77 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.612 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 50' ' ' ASP . 79.5 t -69.24 -23.59 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 59' ' ' LYS . 43.9 t0 -78.55 -33.69 47.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.722 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -54.27 -64.03 0.96 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.57 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 58' ' ' MET . 5.9 p -49.04 -37.72 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.714 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.412 ' N ' HG13 ' A' ' 57' ' ' VAL . 63.7 mtt -75.07 -34.13 61.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ASP . 8.5 ttmm -57.17 -39.24 74.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -55.65 -40.94 72.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.37 -40.29 95.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.502 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.33 -41.63 80.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.604 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -67.42 -50.1 60.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.676 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -103.25 -110.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.604 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.75 18.69 56.02 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -56.72 -34.72 67.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.6 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.402 ' HA2' ' H ' ' A' ' 30' ' ' LYS . . . 96.56 60.15 1.0 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.522 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 80.8 tt0 -168.38 113.38 0.63 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.748 0.309 . . . . 0.0 110.565 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.54 147.57 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.435 ' OD1' ' CD ' ' A' ' 73' ' ' GLU . 4.8 p-10 -92.11 -170.19 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.636 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -73.71 -46.06 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -62.95 -45.14 93.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.765 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' CD ' ' OD1' ' A' ' 70' ' ' ASP . 99.4 mt-10 -71.24 -18.37 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.453 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -82.02 -53.63 5.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.583 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 76' ' ' VAL . 27.3 m -59.09 -45.1 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.998 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.497 ' N ' HG23 ' A' ' 75' ' ' VAL . 9.8 p -59.28 -37.43 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.741 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' VAL . 45.1 mt -69.52 -38.85 77.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.757 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' A' ' 82' ' ' THR . 76.2 t -63.01 -26.66 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -19.48 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.87 -65.02 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.23 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.01 -19.55 64.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.812 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 32.1 m -69.13 -51.24 40.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.725 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.52 -38.7 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.77 -30.04 71.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 48.5 t -109.62 17.43 21.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -89.31 132.54 34.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 4.9 p30 -118.69 60.11 0.81 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.48 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -85.03 -69.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -93.52 -20.3 20.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -57.8 -104.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.558 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -73.92 143.72 45.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.651 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -66.11 168.52 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.598 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.551 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -149.95 167.51 26.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.581 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -59.11 -34.9 72.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.777 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -74.44 -48.93 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.219 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.476 ' OE2' ' O ' ' A' ' 41' ' ' LEU . 97.1 mt-10 -55.86 -53.19 59.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.69 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -64.96 -23.19 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.778 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -50.67 -52.54 38.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.643 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.8 mmm -68.31 -30.83 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.717 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -65.89 -29.37 69.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 58.3 m -76.86 -32.61 57.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.596 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.95 -53.47 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.402 HD13 HG21 ' B' ' 12' ' ' ILE . 3.2 tt -58.87 -25.39 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.534 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 58.7 t30 -61.94 -37.26 84.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 95.3 t -85.39 -28.6 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.794 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.17 -62.96 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.889 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.535 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.2 p80 -61.42 -20.97 63.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.729 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' B' ' 13' ' ' ASN . . . -65.09 -44.11 89.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.692 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -90.35 -21.22 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -63.03 -30.33 71.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.23 59.65 0.35 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -158.68 -81.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.699 0.285 . . . . 0.0 110.685 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.63 -43.57 8.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.517 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.477 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . -69.35 -168.69 6.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.533 ' OD2' ' N ' ' B' ' 25' ' ' LYS . 21.8 t70 -56.47 -120.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.579 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.533 ' N ' ' OD2' ' B' ' 24' ' ' ASP . 51.2 tttm -145.51 -36.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -109.15 -13.78 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.539 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -143.94 155.33 44.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.705 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -106.12 150.29 25.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -87.84 149.66 24.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.496 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.496 ' NZ ' ' O ' ' B' ' 68' ' ' GLU . 23.3 mtmm -68.63 -27.33 65.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.688 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -52.31 -38.75 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.21 -29.7 26.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.419 ' HA ' HD21 ' B' ' 36' ' ' LEU . 55.9 tp -51.7 -36.54 47.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -78.65 -25.38 44.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.711 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.36 -46.52 15.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' B' ' 33' ' ' LEU . 3.1 pp -74.98 -25.98 59.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.019 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mt -54.37 -53.57 52.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.326 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' B' ' 42' ' ' SER . 42.8 mt-30 -69.42 -47.36 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.846 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 27.4 m -57.86 -45.53 86.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.46 -42.95 70.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.78 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.488 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 67.2 mt -86.29 -76.56 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.7 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.456 ' N ' ' O ' ' B' ' 38' ' ' GLN . 4.0 m 54.11 54.22 9.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.528 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.53 -49.72 0.02 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.473 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 46.2 m-85 -60.7 -25.29 66.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.734 0.302 . . . . 0.0 110.612 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.6 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -82.94 -19.6 36.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.541 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -80.81 9.38 6.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.492 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -166.29 74.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.592 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -95.93 130.36 42.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.54 -77.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.636 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.486 ' O ' HG23 ' B' ' 54' ' ' VAL . 67.5 m-20 -74.26 134.47 42.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.424 HG13 ' N ' ' B' ' 52' ' ' ASP . 9.3 p -88.95 -37.18 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.614 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.508 ' CG ' ' N ' ' B' ' 53' ' ' ALA . 16.7 p-10 -64.13 -56.1 17.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' B' ' 52' ' ' ASP . . . -53.69 -40.72 66.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 50' ' ' ASP . 79.0 t -69.33 -23.47 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -78.55 -33.78 47.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.689 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -54.31 -64.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.504 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' B' ' 58' ' ' MET . 5.8 p -49.04 -37.75 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.658 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.41 ' N ' ' CG1' ' B' ' 57' ' ' VAL . 63.7 mtt -75.1 -34.1 61.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.643 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -57.24 -39.19 75.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.61 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.63 -41.02 72.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.477 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.37 -40.32 95.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.475 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.18 -41.69 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.67 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -67.52 -49.92 61.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.724 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -103.31 -110.7 0.24 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.72 18.69 56.07 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -56.64 -34.82 67.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.66 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.64 60.15 0.99 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.496 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 80.9 tt0 -168.37 113.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.75 0.309 . . . . 0.0 110.482 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.4 147.6 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.538 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.438 ' OD1' ' CD ' ' B' ' 73' ' ' GLU . 4.9 p-10 -92.09 -170.15 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.617 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -73.81 -46.05 47.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.752 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -62.83 -45.23 93.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.782 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.438 ' CD ' ' OD1' ' B' ' 70' ' ' ASP . 99.4 mt-10 -71.19 -18.45 62.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -81.87 -53.77 5.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.498 HG23 ' N ' ' B' ' 76' ' ' VAL . 27.2 m -59.0 -45.11 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.054 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.498 ' N ' HG23 ' B' ' 75' ' ' VAL . 9.8 p -59.37 -37.26 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.766 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.421 ' N ' HG13 ' B' ' 76' ' ' VAL . 44.8 mt -69.72 -38.72 77.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.679 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.468 ' O ' ' OG1' ' B' ' 82' ' ' THR . 76.9 t -62.97 -26.82 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.589 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.66 -19.57 30.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.87 -64.82 0.82 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.322 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.578 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.07 -19.77 64.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.767 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 32.2 m -69.03 -51.34 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.685 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.38 -38.73 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.91 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 48.5 t -109.62 17.29 21.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.613 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -89.24 132.43 34.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 87' ' ' ASN . 4.9 p30 -118.66 60.16 0.81 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -85.08 -69.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -93.47 -20.31 20.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.671 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -57.85 -104.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.578 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -73.89 143.72 45.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.643 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -66.06 168.47 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.599 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -76.51 166.76 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.622 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 7' ' ' ALA . 93.3 mt-10 -57.17 -25.18 58.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -52.49 -59.77 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.453 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -48.19 -45.29 33.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.724 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.444 ' H ' HG23 ' A' ' 6' ' ' THR . 0.6 OUTLIER -78.0 -25.36 47.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 -179.671 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -51.62 -33.98 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.451 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.6 mmm -85.06 -32.32 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.547 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.66 -29.29 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 14' ' ' VAL . 32.2 m -69.55 -33.22 72.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -78.23 -52.16 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -55.46 -41.71 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.149 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 49.3 m-20 -60.91 -45.37 94.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.531 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 10' ' ' THR . 78.7 t -66.87 -37.09 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.468 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 18.3 t80 -53.14 -45.23 68.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.509 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -72.78 -22.11 60.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.519 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -65.91 -34.44 78.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.72 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -90.51 -33.16 16.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.64 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.8 p -61.93 -36.56 81.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.687 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.07 -36.04 84.95 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -59.32 -61.35 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -149.85 168.49 23.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.605 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.69 -171.14 52.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 27' ' ' LYS . 94.9 m-20 -67.1 146.63 54.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 110.499 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.51 -71.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.683 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -64.95 -44.71 88.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.614 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.487 ' O ' ' O ' ' A' ' 24' ' ' ASP . 51.1 mmtt -94.56 166.35 12.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.76 135.04 29.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.375 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.7 p -72.95 165.72 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -88.69 -1.58 58.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.627 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -79.15 -43.89 23.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.45 -25.93 66.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 33' ' ' LEU . 4.2 mm? -54.85 -57.65 10.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -55.61 -25.41 38.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.27 -52.21 7.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.288 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 40' ' ' GLU . 3.0 pp -74.05 -33.13 63.59 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.269 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mt -50.76 -44.44 58.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.411 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -74.3 -39.02 63.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.0 m -70.6 -25.12 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.778 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' LEU . 77.1 mm-40 -98.83 -50.38 4.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.6 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.513 ' O ' HD21 ' A' ' 45' ' ' LEU . 49.0 mt -107.05 106.84 17.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.0 t -131.08 34.49 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.448 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.78 -45.11 0.13 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -59.08 -38.0 78.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.434 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.581 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.51 -3.04 31.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.395 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -87.9 -7.53 57.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.525 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.08 62.72 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -78.69 111.03 14.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -95.31 -51.12 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -73.08 -176.57 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.57 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -140.41 -53.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.321 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -52.43 -46.1 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.568 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.89 86.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.69 -26.08 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.573 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 51' ' ' VAL . 56.5 t0 -82.91 -36.08 25.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.651 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -57.2 -57.45 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.734 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 58' ' ' MET . 8.0 p -52.56 -36.5 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.633 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.416 ' N ' HG13 ' A' ' 57' ' ' VAL . 65.1 mtt -70.56 -42.32 71.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -59.8 -26.22 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.686 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -50.68 -37.49 41.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 61' ' ' LEU . 9.5 mp -65.63 -41.68 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -68.64 -39.2 80.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.677 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.83 -90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -63.47 -81.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.39 12.61 84.39 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -165.13 9.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 0.0 110.619 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.59 -177.81 51.79 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -142.47 166.38 24.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 110.604 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.82 150.42 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.447 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 70' ' ' ASP . 5.6 p-10 -98.98 -56.63 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.592 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -167.64 -41.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 76' ' ' VAL . 38.1 mt-30 -68.07 -51.26 48.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.794 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.475 ' OE1' ' OD1' ' A' ' 70' ' ' ASP . 55.3 mp0 -67.82 -18.85 64.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.404 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -74.49 -49.74 20.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.455 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 72' ' ' GLN . 18.8 m -64.42 -25.98 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.737 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 72' ' ' GLN . 56.0 t -58.88 -47.51 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.83 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 8.1 mp -62.74 -56.24 19.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.5 t -46.01 -39.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.5 -19.22 39.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -65.11 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.458 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.57 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -68.65 -19.98 64.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.657 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 86' ' ' ASN . 74.3 m -70.36 -61.81 1.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.935 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 p -56.88 -24.24 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.684 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.06 83.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 2.8 m -127.61 17.25 6.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.928 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 82' ' ' THR . 25.2 t-20 -66.4 -49.78 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.487 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 90' ' ' TRP . 48.2 t-20 41.2 61.23 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.625 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -72.51 -39.01 67.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.502 ' O ' ' N ' ' A' ' 91' ' ' GLU . 77.9 t80 -130.81 -21.8 2.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.681 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.459 ' O ' ' O ' ' A' ' 91' ' ' GLU . 51.9 m95 -48.43 89.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.576 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 89' ' ' PHE . 89.4 mt-10 55.97 115.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.9 -43.88 86.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.575 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -76.44 166.81 22.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 110.535 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' B' ' 7' ' ' ALA . 93.3 mt-10 -57.15 -25.15 58.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.489 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.496 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -52.57 -59.85 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.434 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -48.06 -45.4 32.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.727 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.444 ' H ' HG23 ' B' ' 6' ' ' THR . 0.6 OUTLIER -77.96 -25.23 48.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.759 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' B' ' 3' ' ' GLU . . . -51.74 -33.99 37.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 61.5 mmm -85.03 -32.3 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.595 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.59 -29.4 70.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.633 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.504 ' O ' HG23 ' B' ' 14' ' ' VAL . 32.3 m -69.51 -33.33 72.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.403 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.2 mt -78.14 -52.26 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.641 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -55.44 -41.63 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.226 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.436 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 49.3 m-20 -60.97 -45.36 95.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.441 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 10' ' ' THR . 78.3 t -66.92 -37.19 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.479 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' B' ' 15' ' ' PHE . 18.5 t80 -53.14 -45.12 68.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -72.81 -22.08 60.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -65.91 -34.51 78.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.693 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -90.42 -33.13 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.723 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.7 p -61.92 -36.62 81.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.666 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.07 -35.99 84.85 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -59.42 -61.19 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -150.04 168.57 23.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.46 -171.09 52.81 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.6 m-20 -67.02 146.63 54.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.553 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.51 -71.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.696 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -64.97 -44.71 88.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' B' ' 24' ' ' ASP . 51.1 mmtt -94.5 166.23 12.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.63 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.74 134.99 29.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.8 p -72.82 165.67 24.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -88.66 -1.62 58.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.667 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -79.08 -44.04 22.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.547 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.37 -25.93 66.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.418 HD22 ' N ' ' B' ' 33' ' ' LEU . 4.2 mm? -54.87 -57.72 10.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.388 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -55.51 -25.55 37.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.993 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -81.15 -52.24 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.357 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 40' ' ' GLU . 3.0 pp -74.04 -33.03 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.275 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mt -50.88 -44.48 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.369 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -74.24 -39.07 63.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.665 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 24.0 m -70.54 -25.13 62.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.749 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' B' ' 36' ' ' LEU . 77.1 mm-40 -98.93 -50.36 4.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.596 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.502 ' O ' HD21 ' B' ' 45' ' ' LEU . 48.9 mt -107.0 106.83 17.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.54 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.2 t -131.09 34.53 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.509 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.74 -45.18 0.13 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.12 -37.89 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.478 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.582 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -75.59 -3.01 31.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.36 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -87.91 -7.43 57.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.12 62.64 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.481 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -78.69 110.96 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.56 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -95.26 -51.18 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -73.04 -176.57 2.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.573 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' B' ' 55' ' ' ASP . 0.4 OUTLIER -140.44 -53.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.287 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -52.53 -46.06 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.566 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.02 -41.79 86.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.62 -26.15 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' B' ' 51' ' ' VAL . 56.5 t0 -82.87 -36.17 25.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -57.18 -57.43 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.411 HG13 ' N ' ' B' ' 58' ' ' MET . 8.0 p -52.54 -36.65 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.517 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.411 ' N ' HG13 ' B' ' 57' ' ' VAL . 65.0 mtt -70.48 -42.25 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.68 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.83 -26.25 65.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -50.59 -37.53 40.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.585 HD12 ' N ' ' B' ' 61' ' ' LEU . 9.5 mp -65.53 -41.77 92.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.645 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -68.58 -39.27 81.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.694 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.82 -90.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -63.47 -81.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.592 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.5 12.47 84.5 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -165.08 9.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.547 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.63 -177.82 51.77 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -142.43 166.36 24.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.56 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.83 150.4 28.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.513 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 70' ' ' ASP . 5.6 p-10 -98.89 -56.67 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -167.67 -41.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.525 ' O ' HG23 ' B' ' 76' ' ' VAL . 38.0 mt-30 -68.13 -51.26 48.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.775 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.467 ' OE1' ' OD1' ' B' ' 70' ' ' ASP . 55.3 mp0 -67.76 -18.91 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.989 0.424 . . . . 0.0 110.382 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -74.41 -49.72 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.451 HG22 ' O ' ' B' ' 72' ' ' GLN . 18.9 m -64.45 -25.85 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.77 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 72' ' ' GLN . 56.0 t -58.99 -47.48 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.452 HD12 ' N ' ' B' ' 77' ' ' LEU . 8.0 mp -62.77 -56.27 19.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.551 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.5 t -46.04 -39.86 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.751 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.49 -19.36 38.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -65.05 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.564 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.571 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -68.7 -20.0 64.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.661 -179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.465 ' O ' ' N ' ' B' ' 86' ' ' ASN . 75.5 m -70.35 -61.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.982 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 p -57.01 -24.31 20.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.652 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.13 83.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.798 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 2.9 m -127.55 17.25 6.98 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 82' ' ' THR . 25.4 t-20 -66.24 -49.96 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.509 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 90' ' ' TRP . 48.3 t-20 41.24 61.22 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.575 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -72.46 -38.93 68.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.665 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' B' ' 91' ' ' GLU . 77.9 t80 -130.86 -21.79 2.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.692 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.454 ' O ' ' O ' ' B' ' 91' ' ' GLU . 51.7 m95 -48.54 89.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.511 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' B' ' 89' ' ' PHE . 89.4 mt-10 56.0 115.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.662 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -58.05 -43.76 87.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.518 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -71.88 161.47 30.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.518 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.84 -21.64 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 46.9 tp -79.31 -31.02 43.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.706 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' B' ' 41' ' ' LEU . 81.9 mt-10 -65.4 -51.9 57.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -65.84 -20.72 66.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.585 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -55.98 -54.21 47.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mmt -64.74 -33.9 77.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.622 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.44 -31.38 70.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.1 m -78.35 -37.37 44.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.75 -45.91 87.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 tt -73.34 -22.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.43 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 56.4 t30 -57.33 -42.18 81.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.736 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.451 ' H ' HG22 ' A' ' 14' ' ' VAL . 9.0 m -81.97 -34.54 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -56.61 -62.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.856 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 4.7 p80 -56.64 -31.4 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.523 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.619 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -64.37 -49.93 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.643 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -70.18 -45.91 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 m -59.14 -30.27 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.95 -25.47 23.83 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 22' ' ' GLU . 22.2 mtpp -64.83 170.55 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.615 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 21' ' ' LYS . 14.3 pt-20 -38.47 159.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.596 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.63 -171.41 37.91 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -71.32 118.51 14.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.508 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -72.48 -20.55 61.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -70.79 -45.57 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.612 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -110.94 163.0 14.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.67 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -129.41 138.27 51.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.38 174.64 3.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -99.56 -30.6 12.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -58.34 -45.71 87.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.671 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -66.82 -29.97 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.674 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.45 -46.07 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.691 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.41 -25.55 68.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -77.74 -51.69 10.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.975 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 pp -71.27 -25.8 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.008 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.97 -39.86 91.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.469 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.49 -27.37 41.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.8 m -87.57 -27.14 22.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.877 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -81.88 -50.17 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.582 ' N ' HD12 ' A' ' 41' ' ' LEU . 9.9 mp -81.38 -63.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.891 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.454 ' O ' ' OG ' ' A' ' 42' ' ' SER . 8.8 t 43.37 31.84 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.448 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . -145.1 -62.89 0.02 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.545 ' C ' ' H ' ' A' ' 46' ' ' ASP . 24.3 m-85 -49.53 -46.18 48.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.648 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 45' ' ' LEU . 1.6 pp -58.13 0.37 0.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.652 ' N ' HD12 ' A' ' 45' ' ' LEU . 16.4 t70 -87.69 3.43 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.66 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.32 76.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.658 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.93 89.27 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.438 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' NZ ' ' ND2' ' A' ' 87' ' ' ASN . 83.9 mttt -84.92 -68.56 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.649 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.407 ' O ' HG23 ' A' ' 54' ' ' VAL . 79.4 m-20 -56.29 127.53 31.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 52' ' ' ASP . 9.4 p -94.18 -40.67 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' N ' HG13 ' A' ' 51' ' ' VAL . 95.5 m-20 -57.95 -44.92 87.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.604 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.15 -41.35 86.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 50' ' ' ASP . 79.7 t -68.98 -26.02 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.653 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -76.7 -38.44 54.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -61.9 -57.78 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 58' ' ' MET . 8.7 p -57.39 -39.53 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.514 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.466 ' N ' HG13 ' A' ' 57' ' ' VAL . 70.4 mmm -71.5 -39.49 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.455 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -63.5 -49.28 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -45.76 -27.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.236 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.08 -41.95 76.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.513 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -72.13 -34.74 68.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.727 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.01 -28.48 69.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.722 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.502 ' C ' ' H ' ' A' ' 66' ' ' ASP . 23.9 m-80 -145.97 51.76 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.64 7.05 1.11 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 64' ' ' ASN . 52.5 t0 -149.72 84.44 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.583 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.07 -152.09 7.8 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -144.91 167.47 22.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.792 0.33 . . . . 0.0 110.536 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -141.05 155.15 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -97.18 -167.44 1.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.85 -51.68 60.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.652 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.92 -40.14 92.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.696 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.16 -18.24 60.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.387 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -84.15 -46.52 11.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.682 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 76' ' ' VAL . 31.4 m -69.03 -41.04 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.27 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.478 ' N ' HG23 ' A' ' 75' ' ' VAL . 9.8 p -56.97 -40.86 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.863 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.473 ' N ' HG13 ' A' ' 76' ' ' VAL . 72.5 mt -59.98 -44.71 94.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.642 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.1 t -67.52 -34.49 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.576 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.01 -26.3 68.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.02 -64.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -50.18 -21.89 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.812 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.806 ' N ' HD23 ' A' ' 81' ' ' LEU . 19.3 m -78.15 -57.89 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.628 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.7 t -56.7 -24.43 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.802 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.81 -49.3 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.1 m -97.59 -5.09 36.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.87 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' THR . 23.3 t-20 -51.91 -44.98 64.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.55 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.487 ' OD1' ' O ' ' A' ' 90' ' ' TRP . 59.2 t-20 51.36 52.94 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.495 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -75.14 -71.36 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 91' ' ' GLU . 79.3 t80 -92.26 -37.47 12.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.756 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.487 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 13.0 m95 -58.14 81.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 89' ' ' PHE . 83.9 tt0 -97.28 107.67 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.547 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -62.21 -36.04 80.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.559 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.537 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -72.02 161.45 30.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.592 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -59.64 -21.7 60.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.706 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 46.8 tp -79.32 -30.95 43.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.483 ' OE2' ' O ' ' A' ' 41' ' ' LEU . 82.0 mt-10 -65.53 -51.8 57.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.563 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.6 t -65.88 -20.82 66.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -55.92 -54.26 46.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mmt -64.7 -33.89 77.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.609 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.61 -31.32 70.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.8 m -78.29 -37.36 45.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.75 -45.86 87.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.708 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 tt -73.38 -22.07 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.712 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.428 ' O ' ' NE2' ' B' ' 16' ' ' HIS . 56.4 t30 -57.34 -42.18 81.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.41 HG22 ' H ' ' B' ' 14' ' ' VAL . 9.2 m -82.0 -34.51 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.839 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -56.56 -63.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.792 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.637 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 4.7 p80 -56.52 -31.41 64.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.56 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.637 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -64.51 -49.89 69.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -70.24 -45.81 65.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.9 m -59.26 -30.17 68.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.99 -25.43 23.98 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' B' ' 22' ' ' GLU . 22.2 mtpp -64.85 170.7 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.629 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' B' ' 21' ' ' LYS . 14.3 pt-20 -38.65 159.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.627 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.75 -171.39 37.69 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -71.44 118.45 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.477 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -72.42 -20.59 61.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.683 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -70.71 -45.63 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -111.0 163.04 14.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tp -129.4 138.16 51.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.31 174.7 3.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.624 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -99.6 -30.61 12.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.581 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.446 ' HZ2' ' HA ' ' B' ' 66' ' ' ASP . 63.5 mttp -58.45 -45.63 88.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -66.84 -29.98 70.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.602 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.56 -45.99 77.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.662 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.45 -25.54 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -77.73 -51.69 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 40' ' ' GLU . 2.8 pp -71.29 -25.83 62.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.979 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.97 -39.83 91.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.46 -27.45 41.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 25.3 m -87.35 -27.29 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.951 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 36' ' ' LEU . 67.6 mm-40 -81.86 -50.17 9.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 41' ' ' LEU . 9.9 mp -81.39 -63.48 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.847 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.471 ' O ' ' OG ' ' B' ' 42' ' ' SER . 8.7 t 43.31 31.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.443 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' B' ' 46' ' ' ASP . . . -145.11 -62.9 0.02 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.522 ' C ' ' H ' ' B' ' 46' ' ' ASP . 24.3 m-85 -49.51 -46.18 48.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.772 0.32 . . . . 0.0 110.56 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.667 ' C ' HD12 ' B' ' 45' ' ' LEU . 1.6 pp -58.15 0.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.661 ' N ' HD12 ' B' ' 45' ' ' LEU . 16.3 t70 -87.66 3.52 47.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.712 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.38 76.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.68 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -93.9 89.18 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.433 ' NZ ' HD21 ' B' ' 87' ' ' ASN . 83.9 mttt -84.84 -68.61 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.632 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -56.42 127.6 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.497 HG13 ' N ' ' B' ' 52' ' ' ASP . 9.2 p -94.19 -40.66 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.497 ' N ' HG13 ' B' ' 51' ' ' VAL . 95.5 m-20 -57.89 -44.92 87.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.622 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.31 86.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 79.6 t -69.1 -25.91 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -76.68 -38.59 54.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.531 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -61.84 -57.81 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.749 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.459 HG13 ' N ' ' B' ' 58' ' ' MET . 8.5 p -57.31 -39.59 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.536 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.459 ' N ' HG13 ' B' ' 57' ' ' VAL . 70.5 mmm -71.51 -39.48 70.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.483 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -63.45 -49.29 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -45.84 -26.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.202 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.06 -42.0 76.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.519 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -72.11 -34.75 68.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.01 -28.55 69.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.659 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.507 ' C ' ' H ' ' B' ' 66' ' ' ASP . 23.9 m-80 -145.91 51.78 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 7.1 1.12 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' B' ' 64' ' ' ASN . 52.4 t0 -149.76 84.46 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.557 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.03 -152.1 7.79 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -144.9 167.46 22.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.56 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -141.07 155.2 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -97.23 -167.46 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.495 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.79 -51.73 60.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.86 -40.28 92.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.661 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.01 -18.45 60.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.354 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -83.99 -46.52 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.759 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.47 HG23 ' N ' ' B' ' 76' ' ' VAL . 31.3 m -69.03 -41.12 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.143 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.47 ' N ' HG23 ' B' ' 75' ' ' VAL . 9.8 p -56.93 -40.94 75.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 110.855 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.469 ' N ' HG13 ' B' ' 76' ' ' VAL . 72.5 mt -59.79 -44.75 93.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.688 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.56 -34.41 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.685 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.99 -26.33 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.98 -64.45 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.367 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.788 HD23 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -50.26 -21.87 1.54 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.846 179.698 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.788 ' N ' HD23 ' B' ' 81' ' ' LEU . 19.5 m -78.06 -57.93 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 66.0 t -56.7 -24.5 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.79 -49.33 62.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.3 m -97.48 -5.24 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.924 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 82' ' ' THR . 23.2 t-20 -51.92 -44.83 64.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.585 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.487 ' OD1' ' O ' ' B' ' 90' ' ' TRP . 59.3 t-20 51.15 53.01 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -75.12 -71.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' B' ' 91' ' ' GLU . 79.5 t80 -92.33 -37.33 12.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.73 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.487 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 13.0 m95 -58.26 81.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.702 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' B' ' 89' ' ' PHE . 83.9 tt0 -97.42 107.64 20.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.516 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -62.21 -35.99 80.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.634 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.521 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -81.95 153.11 26.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 0.0 110.598 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.24 -26.51 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -66.18 -28.96 69.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.505 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -67.77 -59.11 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.731 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -64.91 -29.17 70.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.99 -48.96 21.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -34.51 78.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.399 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -66.14 -24.5 66.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.494 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.6 m -76.31 -33.45 59.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.05 -51.65 30.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.802 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 tt -62.61 -26.88 41.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.701 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -57.01 -39.3 74.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.738 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 71.9 t -83.73 -32.11 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.51 -62.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.701 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.538 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.6 p80 -58.55 -20.91 50.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -67.27 -45.44 76.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.706 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -90.15 -16.29 29.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.734 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 p -61.67 -28.25 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.599 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.68 -120.55 0.1 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 59.01 -121.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.704 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -76.98 45.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.648 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.75 -150.14 32.41 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 57.33 47.78 16.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.487 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -73.07 -11.16 60.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -92.61 -55.04 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.646 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -107.29 170.85 7.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.631 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -137.82 135.83 36.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.448 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -76.43 156.53 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.648 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -79.63 -30.27 41.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.709 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -56.18 -22.97 32.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -85.03 -35.86 21.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.743 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD21 ' CD1' ' A' ' 74' ' ' TYR . 6.8 mt -54.12 -55.95 22.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.507 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -55.47 -25.37 36.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.661 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.31 -54.16 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.79 -25.75 63.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.099 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' LEU . 10.6 mt -57.38 -44.11 84.16 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.314 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -75.21 -46.21 35.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.9 m -64.84 -37.96 89.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.078 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -92.48 -50.37 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.867 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 tp -98.88 99.5 10.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.335 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -133.26 55.24 1.91 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.26 -36.25 0.2 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' C ' ' H ' ' A' ' 46' ' ' ASP . 77.1 m-85 -83.4 -43.49 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.736 0.303 . . . . 0.0 110.523 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.657 HD12 ' C ' ' A' ' 45' ' ' LEU . 1.6 pp -59.61 0.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.492 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.65 ' N ' HD12 ' A' ' 45' ' ' LEU . 9.0 t70 -93.8 4.14 54.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.43 65.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.585 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -86.47 80.91 8.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.564 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.05 -40.87 71.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.612 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -83.19 137.13 34.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.547 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.6 -54.91 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.416 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -52.53 -44.47 65.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.73 99.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.83 -22.29 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.695 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.8 -34.96 64.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -59.73 -54.09 50.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.694 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.1 p -59.06 -39.31 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.753 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 58' ' ' MET . 11.3 tmm? -71.14 -40.44 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -61.39 -38.36 86.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.16 -35.82 27.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 65' ' ' GLY . 57.6 mt -63.23 -39.65 95.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.481 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.63 -39.99 95.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.52 -38.0 89.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -167.79 76.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.618 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -67.76 -32.69 78.49 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -91.44 12.66 19.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.333 . . . . 0.0 110.589 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.66 153.05 41.87 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -98.0 156.62 16.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.473 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.1 150.41 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.603 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -96.35 -172.79 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.416 ' O ' HG22 ' A' ' 75' ' ' VAL . 51.7 t80 -60.04 -56.5 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -57.37 -44.67 84.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -67.9 -18.39 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.365 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.42 ' CD1' HD21 ' A' ' 33' ' ' LEU . 5.1 t80 -87.28 -64.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 76' ' ' VAL . 28.3 m -43.92 -43.8 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 77' ' ' LEU . 8.8 p -58.56 -41.8 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.896 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.497 ' N ' HG13 ' A' ' 76' ' ' VAL . 16.6 mt -62.66 -47.89 81.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.511 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.402 ' O ' ' OG1' ' A' ' 82' ' ' THR . 53.0 t -52.41 -27.53 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.39 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.62 -19.38 31.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.62 -64.63 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -64.5 -19.56 65.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.154 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 96.6 m -68.76 -53.84 19.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.677 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 82.4 t -61.13 -24.41 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.73 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.46 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' ASN . 2.7 m -94.49 -26.34 16.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.859 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' CYS . 4.0 t-20 -36.37 -55.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.708 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' ASN . 22.4 t-20 39.76 44.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.583 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -76.17 -61.29 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.707 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -78.43 -32.29 48.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -66.36 98.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 92' ' ' ASN . 95.6 mt-10 -94.4 0.45 55.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.411 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.431 ' O ' ' O ' ' A' ' 91' ' ' GLU . 78.3 m-20 46.59 -174.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.561 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.474 -179.9 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.702 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -81.9 153.08 26.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.17 -26.62 68.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.578 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.5 tp -66.09 -28.94 69.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -67.83 -59.09 3.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.736 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.5 t -64.95 -29.16 70.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.642 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.93 -48.95 21.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.491 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -34.49 77.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -66.18 -24.42 66.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 43.9 m -76.32 -33.43 59.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.662 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 mt -70.07 -51.65 30.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.752 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 tt -62.62 -26.95 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.666 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -56.9 -39.27 74.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.433 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 71.8 t -83.83 -32.12 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.786 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -60.57 -62.51 1.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.672 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.538 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.5 p80 -58.55 -20.84 49.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.741 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -67.36 -45.35 76.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -90.21 -16.31 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.718 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.8 p -61.67 -28.27 69.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.635 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.59 -120.52 0.1 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 59.0 -121.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.737 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -76.98 45.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.77 -150.14 32.37 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 57.28 47.76 16.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.511 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -73.06 -11.13 60.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -92.59 -55.04 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.689 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -107.27 170.87 7.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.668 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tp -137.83 135.92 36.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.414 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 89.2 p -76.54 156.53 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -79.69 -30.16 40.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.687 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -56.26 -22.99 33.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.537 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -85.01 -35.87 21.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.745 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' B' ' 74' ' ' TYR . 6.8 mt -54.18 -55.92 23.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.526 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -55.33 -25.46 34.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.741 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.27 -54.27 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.72 -25.71 63.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.074 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' B' ' 41' ' ' LEU . 10.6 mt -57.48 -44.06 84.6 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.261 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -75.14 -46.32 35.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.0 m -64.8 -38.04 89.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.952 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -92.47 -50.35 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.858 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' B' ' 37' ' ' LEU . 1.7 tp -98.86 99.36 10.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.395 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -133.27 55.43 1.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.488 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.31 -36.26 0.2 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.522 ' C ' ' H ' ' B' ' 46' ' ' ASP . 77.2 m-85 -83.44 -43.51 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.682 0.277 . . . . 0.0 110.422 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.675 ' C ' HD12 ' B' ' 45' ' ' LEU . 1.6 pp -59.73 0.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.501 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.653 ' N ' HD12 ' B' ' 45' ' ' LEU . 8.9 t70 -93.76 4.13 54.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.49 65.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -86.47 80.99 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.56 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.12 -40.92 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -83.2 137.09 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.641 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -54.83 6.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -52.58 -44.4 65.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.658 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.79 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.81 -22.38 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.645 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.72 -35.01 65.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.661 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -59.67 -54.03 51.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.825 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.09 -39.23 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.693 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.421 ' C ' ' SD ' ' B' ' 58' ' ' MET . 11.4 tmm? -71.29 -40.3 70.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.656 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -61.52 -38.31 86.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.21 -35.81 28.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' B' ' 65' ' ' GLY . 57.5 mt -63.11 -39.76 95.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.503 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -62.46 -40.08 95.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -64.51 -37.99 89.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.624 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -167.84 76.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.623 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -67.7 -32.67 78.7 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -91.46 12.73 19.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.312 . . . . 0.0 110.577 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.7 152.97 41.68 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -97.94 156.55 16.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.778 0.323 . . . . 0.0 110.496 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.14 150.42 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.402 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 78.0 m-20 -96.31 -172.81 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.456 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.413 ' O ' HG22 ' B' ' 75' ' ' VAL . 51.4 t80 -60.08 -56.47 21.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -57.33 -44.72 84.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.345 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.402 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 48.7 mt-10 -67.8 -18.55 64.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.355 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.414 ' CD1' HD21 ' B' ' 33' ' ' LEU . 5.2 t80 -87.1 -64.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.556 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.492 HG23 ' N ' ' B' ' 76' ' ' VAL . 28.6 m -44.04 -43.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.014 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.511 HG13 ' N ' ' B' ' 77' ' ' LEU . 8.7 p -58.51 -41.83 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.823 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.511 ' N ' HG13 ' B' ' 76' ' ' VAL . 16.6 mt -62.71 -47.84 81.83 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.578 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.445 ' O ' ' OG1' ' B' ' 82' ' ' THR . 52.9 t -52.33 -27.63 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.385 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.59 -19.41 31.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.786 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.7 -64.56 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.197 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.567 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -64.42 -19.86 65.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.165 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 96.5 m -68.56 -53.78 20.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.746 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.21 -24.42 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.691 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.58 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' B' ' 86' ' ' ASN . 2.7 m -94.33 -26.34 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.914 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' B' ' 85' ' ' CYS . 4.0 t-20 -36.46 -55.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.686 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 39.73 44.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.521 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -76.24 -61.3 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.623 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -78.32 -32.41 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.67 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -66.34 98.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.664 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' B' ' 92' ' ' ASN . 95.7 mt-10 -94.22 0.3 55.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.485 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.431 ' O ' ' O ' ' B' ' 91' ' ' GLU . 78.3 m-20 46.7 -174.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.542 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.613 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -70.73 155.1 41.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.59 -24.82 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.687 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.9 tp -71.61 -32.05 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.39 -46.67 87.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.672 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.0 t -81.78 -20.99 38.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.599 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.99 -47.64 74.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.673 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.2 mmm -71.84 -29.73 64.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.683 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 75.5 mm-40 -65.22 -22.25 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.626 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 14' ' ' VAL . 23.0 m -78.09 -45.74 22.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.06 -39.52 86.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.795 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.647 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.59 -37.25 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.327 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.427 HD22 HG23 ' A' ' 12' ' ' ILE . 1.8 m120 -64.06 -60.84 2.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 10' ' ' THR . 28.1 m -54.63 -30.37 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.752 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -61.66 -44.77 96.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.522 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -73.35 -31.31 63.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.57 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.43 -29.82 68.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.5 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -94.16 -56.04 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 10.6 t -61.51 -28.48 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.509 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.95 -19.09 0.49 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' SER . 20.8 ptmt -67.01 -167.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -65.86 -172.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.529 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.87 -159.07 51.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 27' ' ' LYS . 58.5 m-20 -69.06 104.04 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.329 . . . . 0.0 110.594 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' O ' ' OG ' ' A' ' 19' ' ' SER . 30.2 mtmm -71.83 -29.2 64.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -71.73 -32.98 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.752 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 40.1 mmtm -115.06 143.01 45.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.699 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.6 tp -98.31 140.02 33.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.39 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.6 p -79.37 165.85 22.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -89.2 -17.56 28.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.651 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -63.09 -59.63 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -64.19 -31.83 73.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' HA ' HD21 ' A' ' 36' ' ' LEU . 44.6 tp -48.71 -45.12 38.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -70.01 -25.4 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.79 -57.35 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.453 HD21 ' HA ' ' A' ' 33' ' ' LEU . 3.1 pp -62.16 -31.17 71.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.074 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.474 ' C ' HE21 ' A' ' 38' ' ' GLN . 8.9 mt -52.62 -48.75 66.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.647 HE21 ' N ' ' A' ' 38' ' ' GLN . 3.5 mm-40 -73.34 -50.34 22.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.872 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.7 m -55.88 -41.42 74.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.696 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -79.0 -10.5 59.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.673 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 mt -129.19 -82.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.661 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' GLN . 25.8 t 56.84 49.49 14.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.98 -47.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -58.74 -26.37 63.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.724 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.596 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -78.84 -12.35 60.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.652 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 58.1 t0 -87.57 7.45 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.693 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.0 63.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.482 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -94.93 112.81 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.686 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -93.95 -65.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 79.2 m-20 -61.11 154.79 22.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.503 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.36 -58.01 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.453 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 15.1 p-10 -50.54 -47.68 57.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.632 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.72 89.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 50' ' ' ASP . 75.1 t -66.73 -28.03 41.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -83.04 -20.12 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.326 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -57.29 -54.03 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.586 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 58' ' ' MET . 13.4 p -62.84 -38.94 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.574 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.465 ' N ' HG13 ' A' ' 57' ' ' VAL . 31.1 tpp -63.93 -34.77 78.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -58.61 -43.04 89.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.87 -40.25 75.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.39 -42.83 87.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.34 -33.15 72.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -48.53 -33.83 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.423 ' CG ' ' H ' ' A' ' 65' ' ' GLY . 1.7 p30 -161.68 -62.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.649 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.423 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . 85.17 11.78 75.13 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.44 18.28 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.26 -160.9 34.78 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -135.69 159.22 42.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.349 . . . . 0.0 110.453 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.08 147.47 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.499 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -89.69 -157.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.561 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -87.32 -56.13 3.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.698 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.431 ' O ' HG23 ' A' ' 76' ' ' VAL . 33.4 mt-30 -58.11 -44.27 87.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.75 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.571 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 40.5 mp0 -71.07 -27.26 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.318 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -68.55 -56.96 6.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.387 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.5 m -51.91 -31.02 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.584 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.49 ' CG2' ' CG2' ' B' ' 76' ' ' VAL . 47.6 t -64.18 -43.09 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.404 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.2 mt -65.72 -40.41 92.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.408 ' O ' HD21 ' A' ' 81' ' ' LEU . 71.0 t -63.26 -29.06 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.683 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.0 -19.4 30.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.773 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.7 -64.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.593 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -60.54 -19.76 58.21 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.911 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.5 m -73.2 -50.52 22.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.685 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.17 -38.65 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.24 -38.13 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.618 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 m -91.9 -33.4 14.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.553 ' ND2' ' CD1' ' A' ' 88' ' ' PHE . 13.9 t-20 -44.74 140.43 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.486 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -150.27 50.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.625 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.553 ' CD1' ' ND2' ' A' ' 86' ' ' ASN . 9.2 m-85 -72.87 -39.36 66.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.593 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -115.74 -31.11 5.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.771 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -56.04 -29.14 59.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.516 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.526 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 25.3 tt0 45.07 -98.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.489 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 91' ' ' GLU . 30.7 m120 -162.01 45.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.623 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.609 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.8 m -70.79 155.21 41.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.772 0.32 . . . . 0.0 110.572 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.65 -24.82 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 45.8 tp -71.62 -32.05 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.73 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.38 -46.6 87.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.747 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -81.78 -20.92 38.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.666 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.65 74.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.666 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.2 mmm -71.81 -29.85 64.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.623 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 75.4 mm-40 -65.24 -22.12 66.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.517 ' O ' HG22 ' B' ' 14' ' ' VAL . 23.0 m -78.2 -45.73 22.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.7 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.9 mt -67.04 -39.57 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.748 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.647 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.3 OUTLIER -68.58 -37.31 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.356 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 1.8 m120 -63.9 -60.81 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.517 HG22 ' O ' ' B' ' 10' ' ' THR . 28.2 m -54.74 -30.3 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -61.65 -44.78 96.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.546 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -73.31 -31.32 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.588 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.41 -29.8 68.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.536 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -94.18 -56.14 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 10.5 t -61.44 -28.46 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.556 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.99 -19.1 0.5 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' B' ' 19' ' ' SER . 20.8 ptmt -66.9 -167.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 0.0 110.602 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -65.83 -172.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.507 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.82 -159.08 51.16 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 27' ' ' LYS . 58.6 m-20 -69.14 104.18 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.53 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.475 ' O ' ' OG ' ' B' ' 19' ' ' SER . 30.3 mtmm -71.88 -29.26 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -71.68 -33.07 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' B' ' 24' ' ' ASP . 40.2 mmtm -115.06 143.08 45.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.733 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.4 tp -98.26 139.97 33.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.486 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.3 p -79.38 165.8 22.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -89.09 -17.63 28.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.684 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -63.08 -59.66 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -64.19 -31.85 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.529 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.449 ' HA ' HD21 ' B' ' 36' ' ' LEU . 44.6 tp -48.61 -45.27 37.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.597 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -69.84 -25.51 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.81 -57.3 3.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.047 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' B' ' 33' ' ' LEU . 3.0 pp -62.15 -31.16 71.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.088 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.466 ' C ' HE21 ' B' ' 38' ' ' GLN . 8.9 mt -52.74 -48.64 66.57 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.436 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.643 HE21 ' N ' ' B' ' 38' ' ' GLN . 3.5 mm-40 -73.25 -50.45 22.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.846 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.1 m -55.92 -41.28 74.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.71 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -79.16 -10.45 59.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.3 mt -129.26 -82.84 0.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.485 ' N ' ' O ' ' B' ' 38' ' ' GLN . 25.9 t 56.92 49.44 14.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.591 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.95 -47.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -58.71 -26.45 63.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.717 0.294 . . . . 0.0 110.649 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.596 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -78.81 -12.31 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.617 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 58.1 t0 -87.58 7.39 29.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.692 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.99 63.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -94.97 112.76 24.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.707 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -93.85 -65.06 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.526 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 79.2 m-20 -61.11 154.85 21.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.541 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.39 -58.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.343 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 15.3 p-10 -50.56 -47.69 57.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.694 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.87 89.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' B' ' 50' ' ' ASP . 76.2 t -66.7 -27.99 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -82.91 -20.21 35.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -57.32 -53.97 52.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.539 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.459 HG13 ' N ' ' B' ' 58' ' ' MET . 13.4 p -62.89 -38.89 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.594 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.459 ' N ' HG13 ' B' ' 57' ' ' VAL . 30.9 tpp -63.85 -34.87 78.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -58.63 -43.0 89.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.88 -40.13 75.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.598 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.46 -42.87 86.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -69.3 -33.12 72.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.584 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -48.69 -33.76 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.572 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.417 ' CG ' ' H ' ' B' ' 65' ' ' GLY . 1.7 p30 -161.6 -62.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.65 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.417 ' H ' ' CG ' ' B' ' 64' ' ' ASN . . . 85.16 11.74 75.28 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.34 18.2 1.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.528 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.25 -160.78 34.61 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -135.76 159.19 42.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.799 0.333 . . . . 0.0 110.389 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -137.14 147.39 26.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.504 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -89.64 -157.83 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.66 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -87.23 -56.24 3.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.695 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.433 ' O ' HG23 ' B' ' 76' ' ' VAL . 33.5 mt-30 -58.04 -44.3 87.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.573 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 40.5 mp0 -70.96 -27.2 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.472 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -68.64 -56.96 6.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.326 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.5 m -51.94 -31.0 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.49 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 47.7 t -64.11 -43.14 97.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.63 -40.4 92.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.544 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.414 ' O ' HD21 ' B' ' 81' ' ' LEU . 69.6 t -63.31 -29.23 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.74 -19.49 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.799 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.86 -64.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.339 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.602 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -60.54 -19.9 58.68 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.889 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -73.15 -50.58 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.695 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.09 -38.65 82.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.74 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.18 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.3 m -91.93 -33.5 14.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.556 ' ND2' ' CD1' ' B' ' 88' ' ' PHE . 13.8 t-20 -44.66 140.37 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.525 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -150.21 50.69 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.593 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.556 ' CD1' ' ND2' ' B' ' 86' ' ' ASN . 9.3 m-85 -72.9 -39.21 66.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.682 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -115.77 -31.11 5.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.756 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -56.03 -29.1 59.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.536 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.528 ' O ' ' ND2' ' B' ' 92' ' ' ASN . 25.2 tt0 45.05 -98.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.434 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' B' ' 91' ' ' GLU . 30.6 m120 -162.0 45.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.596 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.609 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 m -92.42 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.467 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 52.6 mp0 -62.55 -23.52 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.554 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.7 tt -74.06 -43.36 58.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.33 -53.72 55.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.7 t -63.73 -21.79 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.682 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -52.59 -46.92 67.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.557 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.7 mmm -70.37 -30.9 67.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.503 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 73.9 mm-40 -67.88 -21.6 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.663 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.6 m -80.56 -33.47 36.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.709 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 14' ' ' VAL . 11.4 mt -72.61 -45.32 59.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.787 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 tt -66.41 -22.58 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 93.3 m-20 -61.8 -40.85 96.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 11' ' ' LEU . 19.3 m -83.26 -24.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.8 -62.86 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.669 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 3.5 p80 -59.8 -33.63 71.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.641 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.669 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -59.57 -44.43 93.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.694 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -80.14 -35.08 37.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.716 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 p -65.69 -26.28 67.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.54 -24.74 48.05 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 22' ' ' GLU . 14.1 ptpt -139.14 173.12 11.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 110.601 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 21' ' ' LYS . 92.0 mt-10 57.54 120.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.54 -144.08 36.54 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 63.5 t0 -67.86 138.3 55.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 16.5 pttp -84.02 36.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -149.27 -44.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -126.45 153.54 44.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.54 151.39 21.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.466 ' HA ' ' H ' ' A' ' 68' ' ' GLU . 59.6 p -86.9 158.8 19.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.645 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.36 -33.53 74.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -57.92 -56.23 24.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.49 ' NE2' ' OE1' ' A' ' 35' ' ' GLU . 24.8 mm100 -57.89 -27.6 63.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.681 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.679 ' O ' HD23 ' A' ' 33' ' ' LEU . 1.2 tt -53.07 -36.56 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.521 ' NZ ' HD12 ' A' ' 61' ' ' LEU . 22.2 mtpp -76.86 -25.28 52.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.49 ' OE1' ' NE2' ' A' ' 32' ' ' GLN . 50.6 tt0 -76.68 -47.04 23.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.33 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 33' ' ' LEU . 3.2 pp -72.35 -28.32 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.316 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 37' ' ' LEU . 9.2 mt -51.99 -62.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.43 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -64.22 -44.78 90.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -56.74 -45.7 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.835 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -71.7 -47.13 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.749 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.4 mp -82.22 -105.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.753 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 2.4 p 80.49 36.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.58 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.89 -56.21 0.03 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.585 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 59.5 m-85 -57.12 -48.53 78.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 110.551 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.15 -21.38 65.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.629 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.52 2.79 46.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.23 29.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.88 140.05 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -89.76 -72.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -80.43 131.71 35.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.75 -42.93 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.432 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.565 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 34.3 p-10 -53.35 -38.18 63.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.688 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.565 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.62 -44.05 91.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.88 -27.16 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -83.0 -20.14 35.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.438 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -58.46 -59.26 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.451 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.92 -34.75 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.558 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.0 ttt -56.19 -37.91 70.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -62.01 -38.27 88.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.04 -41.79 75.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.634 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.521 HD12 ' NZ ' ' A' ' 34' ' ' LYS . 73.2 mt -69.27 -34.08 74.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.625 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.12 -44.6 94.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.571 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -75.34 -45.05 41.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -96.03 34.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.683 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.04 43.56 2.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -87.45 -81.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 110.669 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . 168.72 174.45 37.38 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' A' ' 67' ' ' GLY . 98.6 mt-10 56.13 119.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 0.0 110.573 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.0 145.56 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.651 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 42.0 t0 -87.6 150.26 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.438 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.46 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 71.1 t80 -50.73 -44.57 58.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.22 -50.59 72.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.662 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -64.23 -18.48 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.415 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -83.77 -63.79 1.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.623 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.531 HG23 ' N ' ' A' ' 76' ' ' VAL . 35.9 m -49.83 -45.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.942 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.531 ' N ' HG23 ' A' ' 75' ' ' VAL . 6.0 p -59.26 -39.54 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.729 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.444 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.8 tp -65.08 -35.54 81.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.45 ' O ' ' OG1' ' A' ' 82' ' ' THR . 92.4 t -64.31 -27.39 42.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.511 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -86.0 -19.59 30.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.21 -64.96 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.166 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -63.15 -19.81 64.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.827 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.533 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 45.7 m -69.97 -40.16 75.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.595 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 79' ' ' ALA . 75.1 t -65.78 -37.73 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.645 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.31 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.585 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 27.2 p -98.48 -14.68 19.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -51.09 135.3 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.543 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -142.56 35.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.552 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 43.5 m-85 -79.85 -6.81 58.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.421 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 74.3 m-85 -154.42 -25.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -79.19 25.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.68 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 89' ' ' PHE . 36.0 tt0 -57.96 -35.65 71.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.616 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.424 HD22 ' N ' ' A' ' 92' ' ' ASN . 2.5 m120 -93.99 157.25 16.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.3 p . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.535 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m -92.34 162.77 14.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.486 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 52.6 mp0 -62.6 -23.47 67.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.668 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.7 tt -74.1 -43.32 58.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.423 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.29 -53.75 54.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.707 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 14.7 t -63.66 -21.89 66.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.663 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -52.59 -46.97 67.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -70.28 -30.94 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.469 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 74.0 mm-40 -67.89 -21.56 65.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.666 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.7 m -80.65 -33.4 35.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.482 ' O ' HG22 ' B' ' 14' ' ' VAL . 11.4 mt -72.65 -45.39 59.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.749 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 tt -66.4 -22.5 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.689 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 93.5 m-20 -61.87 -40.79 96.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.482 HG22 ' O ' ' B' ' 11' ' ' LEU . 19.3 m -83.13 -24.26 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.873 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -69.76 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.725 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.673 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 3.5 p80 -59.84 -33.64 72.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.673 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -59.52 -44.49 93.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -80.17 -35.05 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.0 p -65.67 -26.28 67.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.606 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.64 -24.71 48.71 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 22' ' ' GLU . 14.2 ptpt -139.1 173.08 11.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.637 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' B' ' 21' ' ' LYS . 91.8 mt-10 57.57 120.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.48 -144.03 36.55 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 63.5 t0 -67.85 138.43 56.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.555 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.418 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 16.5 pttp -84.14 36.08 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.514 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -149.19 -44.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.637 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -126.38 153.59 44.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.51 151.48 21.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.463 ' HA ' ' H ' ' B' ' 68' ' ' GLU . 59.5 p -87.0 158.74 19.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.33 -33.52 74.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.773 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -57.9 -56.15 25.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.494 ' NE2' ' OE1' ' B' ' 35' ' ' GLU . 24.8 mm100 -58.05 -27.48 63.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.56 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.669 ' O ' HD23 ' B' ' 33' ' ' LEU . 1.2 tt -53.12 -36.66 61.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.519 ' NZ ' HD12 ' B' ' 61' ' ' LEU . 22.2 mtpp -76.79 -25.3 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.494 ' OE1' ' NE2' ' B' ' 32' ' ' GLN . 50.6 tt0 -76.65 -47.01 23.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.371 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.457 HD21 ' HA ' ' B' ' 33' ' ' LEU . 3.2 pp -72.48 -28.12 62.71 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.305 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' B' ' 37' ' ' LEU . 9.1 mt -52.16 -62.01 1.9 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.363 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -64.29 -44.7 90.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -56.71 -45.82 81.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -71.63 -47.08 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.52 HD12 ' N ' ' B' ' 41' ' ' LEU . 7.3 mp -82.21 -105.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.72 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 2.4 p 80.44 36.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.01 -56.21 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.568 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 59.4 m-85 -56.95 -48.66 77.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.516 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.18 -21.33 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.665 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.48 2.75 46.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.561 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.2 29.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.9 140.04 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.635 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -89.71 -72.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -80.43 131.8 35.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.78 -42.99 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.409 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 34.6 p-10 -53.31 -38.18 62.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.692 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.572 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -64.6 -44.07 91.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.85 -27.25 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.519 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -82.83 -20.28 35.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -58.45 -59.23 5.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.383 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 8.6 p -61.91 -34.71 64.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.0 ttt -56.17 -37.91 70.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -62.06 -38.28 88.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.623 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.04 -41.71 75.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.627 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.519 HD12 ' NZ ' ' B' ' 34' ' ' LYS . 73.6 mt -69.3 -34.16 74.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.65 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -59.98 -44.59 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.39 -44.95 42.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.626 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -96.07 34.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.658 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.02 43.58 2.48 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -87.55 -81.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' B' ' 68' ' ' GLU . . . 168.72 174.44 37.38 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' B' ' 67' ' ' GLY . 98.6 mt-10 56.13 119.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.792 0.329 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.96 145.57 35.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 42.1 t0 -87.61 150.28 23.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.454 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 70.8 t80 -50.67 -44.67 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.653 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -61.13 -50.6 72.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.71 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -64.23 -18.56 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.406 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -83.69 -63.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.604 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.531 HG23 ' N ' ' B' ' 76' ' ' VAL . 35.9 m -49.71 -45.73 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.933 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.531 ' N ' HG23 ' B' ' 75' ' ' VAL . 6.0 p -59.24 -39.66 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.593 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.459 ' N ' HG13 ' B' ' 76' ' ' VAL . 3.8 tp -65.02 -35.56 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.702 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.443 ' O ' ' OG1' ' B' ' 82' ' ' THR . 93.1 t -64.29 -27.44 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.517 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.412 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.86 -19.59 30.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.33 -64.76 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.214 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.604 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -63.17 -19.96 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.838 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.527 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 46.5 m -69.93 -40.16 75.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.621 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 79' ' ' ALA . 76.7 t -65.66 -37.8 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.706 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.34 -30.34 69.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.568 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 27.1 p -98.46 -14.68 19.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -51.06 135.35 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.542 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -142.61 35.61 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.548 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 43.5 m-85 -79.95 -6.71 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.423 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 74.8 m-85 -154.46 -25.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -79.22 25.42 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.62 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' B' ' 89' ' ' PHE . 36.0 tt0 -57.98 -35.69 71.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.552 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.421 ' N ' HD22 ' B' ' 92' ' ' ASN . 2.5 m120 -93.9 157.27 16.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.541 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -141.92 163.85 31.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.462 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.38 -29.57 70.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.702 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' B' ' 40' ' ' GLU . 42.9 tp -70.35 -32.05 69.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.588 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.36 -48.35 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.759 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -77.53 -21.43 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.506 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.78 -43.31 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.5 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.8 mmm -73.22 -32.3 64.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.429 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -65.42 -23.61 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.3 m -75.02 -40.8 60.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.656 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.87 -46.59 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.99 -42.42 94.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.282 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.452 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 55.2 t30 -57.69 -45.86 85.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.646 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -72.0 -35.87 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -51.16 -53.17 37.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.611 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.4 p80 -73.84 -22.18 59.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.707 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.478 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -62.85 -33.21 74.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.762 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -88.96 -35.96 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.33 -36.04 79.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.667 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.16 76.96 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -68.73 -109.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.668 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -90.79 167.26 12.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . 87.98 -155.29 26.36 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 23' ' ' GLY . 14.3 m-20 -58.34 -130.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.49 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -145.11 -40.7 0.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.474 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -114.65 -6.91 12.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.32 154.87 37.05 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tp -121.63 142.72 49.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.498 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -98.37 167.93 10.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.755 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.12 -34.83 71.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.41 -30.55 62.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.71 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -78.67 -34.91 45.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -54.19 -53.91 47.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.46 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -53.95 -25.62 21.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.17 -57.65 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.309 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.65 -32.93 74.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.172 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 37' ' ' LEU . 17.3 mt -50.67 -48.35 58.45 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.534 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.468 ' O ' ' OG ' ' A' ' 42' ' ' SER . 75.8 mt-30 -72.36 -52.84 14.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -56.47 -34.46 66.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.832 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.415 ' HB3' HD23 ' B' ' 4' ' ' LEU . 76.6 mm-40 -82.4 -44.5 16.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.884 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -89.74 -85.48 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 3.5 m 56.82 33.52 23.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.329 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.2 -50.65 0.05 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -64.27 -48.88 74.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.561 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.39 -14.25 61.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 42' ' ' SER . 7.3 m-20 -85.21 1.05 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.85 37.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -74.66 131.04 40.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -93.75 -44.33 8.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -77.04 131.9 38.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 52' ' ' ASP . 7.1 p -101.19 -40.22 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.682 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' N ' HG13 ' A' ' 51' ' ' VAL . 4.0 p30 -65.15 -43.78 90.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.84 98.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.631 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.81 -29.58 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -75.95 -41.43 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -59.61 -54.85 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.592 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 58' ' ' MET . 9.5 p -57.4 -39.78 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.693 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.457 ' N ' HG13 ' A' ' 57' ' ' VAL . 16.1 tpp -73.4 -35.9 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.542 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -63.92 -37.48 87.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -53.86 -36.66 62.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.657 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' GLY . 12.3 mt -73.75 -39.29 64.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.564 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -67.04 -41.35 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.27 -36.57 84.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' ASP . 2.8 m120 -90.75 -69.54 0.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.56 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 40.78 25.09 0.1 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ASN . 64.1 m-20 -157.15 89.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.51 153.99 6.02 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 68' ' ' GLU . 43.9 mp0 -86.98 -175.79 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.49 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.62 150.76 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.453 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.4 t70 -100.0 178.46 4.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.539 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.453 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 67.1 t80 -55.24 -55.06 35.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -58.68 -45.43 89.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.639 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.544 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 17.9 mp0 -70.39 -18.61 63.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.019 0.438 . . . . 0.0 110.413 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.69 -60.99 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.6 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.58 HG23 ' N ' ' A' ' 76' ' ' VAL . 35.6 m -47.81 -47.44 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.963 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.58 ' N ' HG23 ' A' ' 75' ' ' VAL . 11.4 p -54.76 -45.35 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.896 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.565 ' N ' HG13 ' A' ' 76' ' ' VAL . 71.3 mt -59.2 -37.92 78.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.737 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.4 t -67.09 -29.1 45.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.76 -19.48 30.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.42 -64.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.176 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -64.02 -19.81 65.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.949 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.8 m -68.55 -50.62 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.653 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.46 -28.68 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.684 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.84 90.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.78 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.8 t -96.69 -36.66 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.795 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -42.32 -54.07 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.687 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 43.73 57.23 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.537 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -66.51 -75.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.712 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.411 ' C ' ' H ' ' A' ' 91' ' ' GLU . 85.9 t80 -99.16 -8.53 25.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.68 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -71.59 46.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.611 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 89' ' ' PHE . 95.9 mt-10 -83.84 151.2 25.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -140.75 177.75 7.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.466 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.8 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.585 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -141.99 163.8 31.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.482 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.48 -29.43 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.689 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 40' ' ' GLU . 42.7 tp -70.33 -32.08 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.581 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.38 -48.35 70.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.756 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -77.46 -21.48 52.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.626 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.35 62.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.505 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 50.7 mmm -73.2 -32.32 64.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -65.42 -23.61 66.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 24.2 m -75.02 -40.81 60.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.669 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -70.98 -46.48 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.651 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.633 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -61.92 -42.47 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.46 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 55.3 t30 -57.65 -45.87 84.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.677 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 69.8 t -72.0 -35.85 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.708 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -51.19 -53.05 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.7 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.535 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.3 p80 -73.98 -22.05 59.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.703 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.48 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -62.83 -33.28 74.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -89.01 -35.96 16.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.639 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.31 -36.05 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.11 -30.17 77.0 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -68.63 -109.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.621 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -90.82 167.25 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.582 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . 88.03 -155.29 26.3 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' B' ' 23' ' ' GLY . 14.3 m-20 -58.38 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.473 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -145.11 -40.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -114.55 -6.94 12.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.497 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.36 154.78 37.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 tp -121.59 142.72 49.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -98.3 167.92 10.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.792 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.13 -34.88 71.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.34 -30.59 62.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -78.68 -34.91 45.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.817 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -54.17 -53.85 47.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.545 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -54.05 -25.53 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.23 -57.54 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.321 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.84 -32.82 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.166 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -50.64 -48.35 58.17 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.597 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.47 ' O ' ' OG ' ' B' ' 42' ' ' SER . 75.8 mt-30 -72.3 -52.94 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.4 m -56.45 -34.49 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.868 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.425 ' HB3' HD23 ' A' ' 4' ' ' LEU . 76.7 mm-40 -82.41 -44.45 16.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.847 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -89.73 -85.39 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.914 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 3.5 m 56.74 33.61 23.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.332 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.29 -50.63 0.05 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -64.34 -48.9 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.482 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.35 -14.32 61.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' B' ' 42' ' ' SER . 7.3 m-20 -85.17 1.05 49.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.538 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.83 37.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.5 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -74.71 130.95 40.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -93.7 -44.29 8.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -77.03 131.88 38.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.461 HG13 ' N ' ' B' ' 52' ' ' ASP . 7.1 p -101.32 -40.07 7.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.461 ' N ' HG13 ' B' ' 51' ' ' VAL . 4.0 p30 -65.25 -43.71 90.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.634 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.63 98.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.664 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.9 t -68.04 -29.48 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.612 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -75.96 -41.46 51.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -59.57 -54.82 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.584 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.452 HG13 ' N ' ' B' ' 58' ' ' MET . 9.5 p -57.42 -39.69 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.779 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.452 ' N ' HG13 ' B' ' 57' ' ' VAL . 16.0 tpp -73.43 -35.92 65.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.541 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -63.96 -37.45 87.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.595 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -53.93 -36.53 62.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 65' ' ' GLY . 12.3 mt -73.85 -39.3 64.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -66.95 -41.36 87.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.39 -36.39 83.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' B' ' 66' ' ' ASP . 2.8 m120 -90.82 -69.47 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . 40.67 25.17 0.09 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' B' ' 64' ' ' ASN . 64.3 m-20 -157.16 89.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.57 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.38 154.01 6.02 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' B' ' 68' ' ' GLU . 43.9 mp0 -86.95 -175.77 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.467 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.7 150.69 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.3 t70 -99.91 178.51 4.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.445 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 66.8 t80 -55.28 -55.09 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -58.74 -45.31 89.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.733 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 17.8 mp0 -70.44 -18.69 63.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.957 0.408 . . . . 0.0 110.359 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.65 -61.01 1.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.575 HG23 ' N ' ' B' ' 76' ' ' VAL . 35.6 m -47.76 -47.54 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.861 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.58 HG13 ' N ' ' B' ' 77' ' ' LEU . 11.4 p -54.69 -45.34 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.932 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.58 ' N ' HG13 ' B' ' 76' ' ' VAL . 71.0 mt -59.24 -37.88 78.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.746 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 72.5 t -67.16 -29.1 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.628 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.67 -19.53 30.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.55 -64.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.124 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.58 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.6 pt? -64.02 -20.01 65.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.958 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.6 m -68.34 -50.74 51.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.675 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 76.7 t -59.42 -28.71 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.722 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.87 90.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.8 t -96.73 -36.58 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -42.43 -53.92 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.666 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 43.61 57.26 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -66.45 -76.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.66 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.407 ' C ' ' H ' ' B' ' 91' ' ' GLU . 85.7 t80 -99.15 -8.5 25.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.588 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -71.67 46.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.58 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' B' ' 89' ' ' PHE . 95.8 mt-10 -83.82 151.17 25.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -140.8 177.66 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.56 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 72.3 m . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.585 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.736 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -82.75 152.73 25.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.742 0.306 . . . . 0.0 110.585 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.549 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 55.2 mp0 -57.96 -23.14 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.464 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.0 tt -76.74 -42.81 39.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.96 -51.91 67.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -65.69 -22.22 66.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.594 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -53.22 -46.46 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.367 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.5 mmm -69.9 -30.27 67.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.324 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -68.86 -26.54 65.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -78.31 -34.21 48.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.85 -49.46 58.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.16 -22.61 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.577 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -55.74 -40.86 73.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.447 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 84.1 t -84.05 -32.71 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.699 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -57.26 -58.84 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.725 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.534 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 3.7 p80 -62.41 -21.24 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -67.99 -49.05 63.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.666 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -77.4 -49.39 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.0 p -58.57 -27.85 65.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.503 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.93 -11.75 82.19 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -97.56 -51.35 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.624 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -139.4 154.27 47.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.514 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.39 -175.86 54.54 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' O ' ' A' ' 27' ' ' LYS . 94.0 m-20 -67.89 138.45 56.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 110.485 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -64.57 -44.43 90.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.35 -55.18 11.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' A' ' 24' ' ' ASP . 20.6 mmtm -104.7 146.15 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.563 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 tp -101.56 131.23 47.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.446 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -66.67 139.15 57.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.644 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HZ3' ' HB3' ' A' ' 30' ' ' LYS . 10.1 mtpm? -62.27 -23.51 66.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.464 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -56.38 -37.53 70.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.527 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -71.05 -36.65 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -49.8 -21.32 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.518 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -68.35 -63.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.4 -42.84 61.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.791 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 tp -44.3 -54.04 6.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.413 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -43.77 -65.66 0.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.765 -179.455 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.449 ' O ' ' OG ' ' A' ' 42' ' ' SER . 25.3 mt-30 -65.05 -50.82 64.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.93 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.9 m -44.72 -46.59 10.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -91.43 -50.54 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.219 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.4 mp -103.93 99.87 9.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -120.49 40.76 3.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.867 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.71 -48.08 0.06 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -57.81 -21.68 43.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.638 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -96.9 3.88 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.61 ' N ' HD12 ' A' ' 45' ' ' LEU . 57.1 t0 -103.7 4.65 35.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -151.83 33.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.599 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.632 ' CD ' ' H ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -43.04 94.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' ALA . 21.1 tptp -60.0 -41.24 91.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.469 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -98.52 -141.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.599 HG13 ' N ' ' A' ' 52' ' ' ASP . 10.8 p -168.83 -46.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.599 ' N ' HG13 ' A' ' 51' ' ' VAL . 85.9 m-20 -65.86 -37.79 87.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.614 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -33.53 67.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 57' ' ' VAL . 71.6 t -69.12 -42.02 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.569 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -71.61 -20.15 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.373 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -57.35 -57.84 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.685 HG23 HD12 ' A' ' 77' ' ' LEU . 2.4 p -55.42 -34.02 33.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttm -65.51 -35.43 80.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.629 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.25 -38.54 91.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.629 ' OE2' HD11 ' A' ' 77' ' ' LEU . 43.5 mt-10 -50.72 -41.63 56.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.604 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.607 ' N ' HD12 ' A' ' 61' ' ' LEU . 8.8 mp -65.41 -38.66 90.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -70.24 -31.43 68.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -59.96 -24.95 64.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.578 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -142.93 -72.54 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.06 0.41 69.96 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -151.39 72.23 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 0.0 110.526 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.34 -155.94 7.55 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.11 171.34 14.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.11 -162.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.475 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.423 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 32.0 t0 -144.44 175.89 9.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -58.03 -34.97 70.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.71 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 76' ' ' VAL . 29.5 mt-30 -73.14 -39.05 66.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 14.1 mp0 -78.49 -27.81 46.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.543 ' O ' HG23 ' A' ' 78' ' ' VAL . 3.4 t80 -66.86 -40.18 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.333 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 72' ' ' GLN . 30.1 m -71.67 -29.04 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.0 t -63.37 -53.56 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.685 HD12 HG23 ' A' ' 57' ' ' VAL . 4.3 mm? -60.85 -33.45 73.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 74' ' ' TYR . 73.9 t -68.41 -38.58 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -78.24 -19.86 52.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.712 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.39 -54.21 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.71 -25.13 68.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -75.39 -49.73 18.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.8 t -60.97 -36.9 75.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.604 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.33 -35.23 62.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.687 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.0 -46.76 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.665 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -55.44 140.5 39.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.632 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 91' ' ' GLU . 1.9 p-10 -144.67 36.63 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.53 -48.97 79.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -72.54 -43.23 63.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -76.94 -146.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.599 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.568 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 49.8 mt-10 -52.62 125.51 16.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.444 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 93' ' ' SER . 44.6 p-10 -85.51 19.21 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.581 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 92' ' ' ASN . 28.9 t . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -82.76 152.7 25.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.557 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 55.5 mp0 -58.01 -23.08 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.497 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.654 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.0 tt -76.75 -42.88 39.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.91 -51.92 67.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -65.77 -22.18 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.534 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -53.28 -46.3 69.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.431 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 77.6 mmm -70.06 -30.06 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.38 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -69.01 -26.48 65.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.687 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -78.28 -34.23 49.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.67 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.88 -49.52 57.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.755 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.06 -22.64 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.633 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -55.75 -40.86 73.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.663 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.452 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 83.1 t -84.09 -32.68 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -57.32 -58.87 6.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.537 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 3.8 p80 -62.49 -21.06 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.686 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -67.99 -49.07 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -77.4 -49.43 14.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.681 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.4 p -58.48 -27.81 64.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.02 -11.81 81.98 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -97.53 -51.27 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.712 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -139.37 154.32 47.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.41 -175.85 54.56 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.0 m-20 -67.91 138.51 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.395 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -64.65 -44.43 90.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.794 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.29 -55.23 11.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' B' ' 24' ' ' ASP . 20.5 mmtm -104.66 146.14 29.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.54 131.19 47.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.464 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -66.65 139.07 57.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.671 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.418 ' HB3' ' HZ3' ' B' ' 30' ' ' LYS . 10.1 mtpm? -62.22 -23.48 66.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.439 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -56.35 -37.51 70.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.523 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -71.08 -36.79 72.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.474 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tp -49.62 -21.4 1.01 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -68.27 -63.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.749 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.45 -42.78 61.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.721 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 tp -44.37 -53.9 6.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' B' ' 41' ' ' LEU . 0.5 OUTLIER -43.89 -65.58 0.49 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.735 -179.485 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.433 ' O ' ' OG ' ' B' ' 42' ' ' SER . 25.3 mt-30 -65.04 -50.86 64.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.962 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 26.7 m -44.69 -46.63 10.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -91.53 -50.48 5.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.122 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' B' ' 37' ' ' LEU . 4.4 mp -103.96 99.91 9.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.842 0.353 . . . . 0.0 110.732 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 0.8 OUTLIER -120.54 40.86 3.4 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 179.83 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.81 -48.07 0.06 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -57.85 -21.69 44.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.624 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.608 HD12 ' N ' ' B' ' 46' ' ' ASP . 0.4 OUTLIER -96.8 3.88 52.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.608 ' N ' HD12 ' B' ' 45' ' ' LEU . 57.2 t0 -103.68 4.57 35.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -151.77 33.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.567 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.627 ' CD ' ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -43.11 94.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.465 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' B' ' 47' ' ' ALA . 21.2 tptp -60.14 -41.1 92.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.489 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -98.52 -141.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.544 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.597 HG13 ' N ' ' B' ' 52' ' ' ASP . 10.7 p -168.83 -46.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.597 ' N ' HG13 ' B' ' 51' ' ' VAL . 85.8 m-20 -65.71 -37.97 87.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.65 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.07 -33.55 68.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.431 ' O ' HG12 ' B' ' 57' ' ' VAL . 72.4 t -69.11 -41.99 81.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.613 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -71.55 -20.29 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.379 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -57.28 -57.9 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.459 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.68 HG23 HD12 ' B' ' 77' ' ' LEU . 2.4 p -55.53 -33.91 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttm -65.56 -35.37 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.675 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -63.26 -38.6 91.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.632 ' OE2' HD11 ' B' ' 77' ' ' LEU . 43.5 mt-10 -50.67 -41.68 55.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.582 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.61 HD12 ' N ' ' B' ' 61' ' ' LEU . 8.8 mp -65.33 -38.68 90.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.465 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -70.2 -31.48 68.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.509 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -59.93 -24.99 64.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.472 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -142.94 -72.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.448 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.12 0.34 70.08 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -151.37 72.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.474 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.36 -155.94 7.55 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.1 171.31 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.543 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.07 -162.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.429 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 32.3 t0 -144.46 175.86 9.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.561 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -57.95 -35.02 70.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.753 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.555 ' O ' HG23 ' B' ' 76' ' ' VAL . 29.4 mt-30 -73.08 -39.12 66.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.429 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 14.2 mp0 -78.4 -27.8 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.557 ' O ' HG23 ' B' ' 78' ' ' VAL . 3.4 t80 -66.81 -40.3 88.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.284 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 72' ' ' GLN . 30.4 m -71.57 -29.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.59 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.555 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.9 t -63.3 -53.57 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.474 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.68 HD12 HG23 ' B' ' 57' ' ' VAL . 4.3 mm? -60.83 -33.47 73.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.404 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.557 HG23 ' O ' ' B' ' 74' ' ' TYR . 74.2 t -68.37 -38.6 79.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.601 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.415 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -78.22 -19.81 53.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.52 -54.13 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.707 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.65 -25.15 67.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.526 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -75.41 -49.78 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.6 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 79' ' ' ALA . 55.2 t -60.91 -36.94 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.554 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.37 -35.15 62.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.3 t -97.01 -46.88 6.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.678 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -55.31 140.48 39.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.627 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.566 ' ND2' ' O ' ' B' ' 91' ' ' GLU . 1.9 p-10 -144.61 36.57 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.46 -49.01 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -72.46 -43.28 63.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.568 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -76.95 -146.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.581 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.566 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 49.8 mt-10 -52.58 125.53 16.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.532 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' B' ' 93' ' ' SER . 44.6 p-10 -85.56 19.19 2.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.503 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.432 ' C ' ' O ' ' B' ' 92' ' ' ASN . 28.9 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.478 ' O ' HG22 ' A' ' 6' ' ' THR . 60.7 p -72.93 155.53 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.695 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.3 -24.91 68.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.468 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.538 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -79.74 -61.73 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -52.5 -44.15 65.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 2' ' ' SER . 6.3 t -69.24 -20.66 63.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.698 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -56.46 -37.23 70.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.747 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -83.87 -25.4 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.744 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.5 -25.29 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.716 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -78.38 -48.04 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.652 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.36 -46.54 82.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.644 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.622 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -60.01 -45.54 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.343 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.508 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 79.6 m-20 -60.33 -41.24 93.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.777 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.4 t -77.11 -29.59 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.721 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -57.84 -51.72 68.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.521 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.9 p80 -75.53 -19.56 59.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -30.77 68.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.35 -49.3 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.6 p -58.58 -36.8 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -61.56 -21.78 60.78 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 20' ' ' GLY . 44.7 tttt -58.63 -136.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.589 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -105.28 133.6 49.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.09 -118.22 2.1 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -69.89 162.62 27.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.567 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -73.43 -63.6 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.563 ' OH ' ' CE2' ' B' ' 89' ' ' PHE . 3.8 m-85 -126.99 -4.94 6.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.627 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -91.65 168.97 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.652 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -131.4 126.13 34.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.415 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.4 p -60.55 155.72 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.57 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HA ' HD23 ' A' ' 33' ' ' LEU . 35.1 ttpt -83.76 -5.63 59.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -78.64 -34.9 46.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -70.51 -25.37 63.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 30' ' ' LYS . 4.0 mm? -47.38 -21.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -76.03 -64.82 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.769 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 39' ' ' THR . 94.4 mt-10 -69.5 -29.81 67.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.91 -50.56 73.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.415 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 41' ' ' LEU . 93.2 mt -68.79 -46.58 68.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.966 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.72 -36.97 81.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.133 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 86.6 m -72.82 -40.43 65.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.956 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -85.02 -50.59 7.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.7 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.3 mp -99.57 96.61 7.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.831 0.348 . . . . 0.0 110.388 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.8 p -123.38 38.42 4.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.441 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.99 -39.26 0.2 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' A' ' 46' ' ' ASP . 62.4 m-85 -67.72 -51.84 44.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 110.452 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.685 HD12 ' C ' ' A' ' 45' ' ' LEU . 2.0 pp -58.34 -0.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.667 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.665 ' N ' HD12 ' A' ' 45' ' ' LEU . 16.4 t70 -97.89 2.74 49.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.14 37.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.545 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -76.96 131.03 38.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -97.42 -78.8 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -50.9 153.17 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.643 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.2 -46.99 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.437 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -52.37 -48.58 65.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.74 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.0 84.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.618 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' ' 57' ' ' VAL . 75.3 t -64.61 -29.37 47.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.602 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -82.95 -20.28 35.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.428 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -53.87 -47.34 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.5 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 58' ' ' MET . 6.7 p -62.22 -40.23 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.466 ' N ' HG13 ' A' ' 57' ' ' VAL . 64.0 mtt -72.49 -24.54 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.39 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -50.59 -37.02 37.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -62.19 -37.09 83.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.35 -34.74 55.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.42 -41.63 98.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.37 -44.29 79.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.485 ' N ' ' ND2' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -172.15 113.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.26 56.11 3.95 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 50.6 p30 -155.41 143.3 19.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.696 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.34 -148.88 18.79 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.536 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -144.58 173.32 11.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.753 0.311 . . . . 0.0 110.454 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.0 t -134.68 133.08 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.63 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.0 t0 -82.65 159.58 22.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.565 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.541 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 85.3 t80 -49.87 -51.47 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -59.16 -41.55 88.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.483 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -71.44 -18.44 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.343 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -83.84 -59.19 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.422 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.509 HG23 ' N ' ' A' ' 76' ' ' VAL . 34.0 m -50.81 -44.19 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.968 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 77' ' ' LEU . 9.6 p -63.3 -42.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.855 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.53 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.6 tp -60.96 -38.84 87.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.516 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.435 ' O ' ' OG1' ' A' ' 82' ' ' THR . 75.6 t -62.12 -23.78 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.545 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.96 -19.43 30.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.744 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -64.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.6 pt? -62.86 -19.93 64.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.928 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.494 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 35.4 m -73.77 -43.4 59.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.496 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 79' ' ' ALA . 76.2 t -66.41 -36.46 77.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -35.94 77.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.73 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.513 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 24.4 p -92.33 -29.6 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.745 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 85' ' ' CYS . 39.1 t30 -35.4 -83.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.597 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 85' ' ' CYS . 38.7 m-20 59.67 53.2 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.588 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -72.31 -76.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.444 ' CZ ' ' OH ' ' B' ' 26' ' ' TYR . 67.1 t80 -84.19 -29.68 26.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.75 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -42.45 -41.62 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.665 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -96.04 144.73 26.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.5 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.467 ' O ' ' O ' ' A' ' 93' ' ' SER . 28.6 p-10 -65.71 174.4 2.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 92' ' ' ASN . 49.7 m . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.53 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.48 ' O ' HG22 ' B' ' 6' ' ' THR . 60.6 p -73.05 155.53 39.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.61 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.27 -24.87 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 0.2 OUTLIER -79.65 -61.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.645 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -52.37 -44.26 65.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.48 HG22 ' O ' ' B' ' 2' ' ' SER . 6.3 t -69.17 -20.84 64.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.673 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -56.45 -37.15 69.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.729 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -83.97 -25.35 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.708 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.6 -25.2 67.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.677 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -78.39 -48.09 16.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.674 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.31 -46.52 83.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.738 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.633 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -60.05 -45.53 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.321 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.505 ' N ' ' CG2' ' B' ' 12' ' ' ILE . 79.1 m-20 -60.33 -41.33 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.753 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -76.96 -29.7 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.723 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -57.79 -51.81 68.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.705 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.521 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 4.8 p80 -75.55 -19.5 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.783 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -30.85 68.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.666 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.35 -49.23 5.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.707 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.6 p -58.63 -36.69 74.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.688 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' B' ' 21' ' ' LYS . . . -61.59 -21.89 60.97 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 20' ' ' GLY . 44.3 tttt -58.52 -136.38 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.801 0.334 . . . . 0.0 110.628 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -105.29 133.53 49.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.13 -118.19 2.09 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -69.86 162.62 27.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 110.599 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -73.48 -63.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.712 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.444 ' OH ' ' CZ ' ' A' ' 89' ' ' PHE . 3.7 m-85 -127.01 -4.95 6.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -91.64 168.93 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.569 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -131.41 126.05 34.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.375 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -60.49 155.72 17.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.428 ' HA ' HD23 ' B' ' 33' ' ' LEU . 35.1 ttpt -83.84 -5.46 59.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -78.69 -34.94 45.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.508 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -70.5 -25.43 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.627 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' B' ' 30' ' ' LYS . 4.0 mm? -47.39 -21.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -75.92 -64.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.4 mt-10 -69.54 -29.71 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.98 -50.49 73.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 41' ' ' LEU . 93.6 mt -68.91 -46.51 68.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.71 -37.02 81.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.143 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 86.1 m -72.75 -40.47 66.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.912 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -85.09 -50.37 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.714 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' B' ' 37' ' ' LEU . 5.3 mp -99.63 96.54 7.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.783 0.325 . . . . 0.0 110.343 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 53.9 p -123.43 38.43 4.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.344 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.03 -39.27 0.2 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.528 ' C ' ' H ' ' B' ' 46' ' ' ASP . 62.4 m-85 -67.66 -51.81 45.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.808 0.337 . . . . 0.0 110.482 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.681 ' C ' HD12 ' B' ' 45' ' ' LEU . 2.0 pp -58.5 -0.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.667 ' N ' HD12 ' B' ' 45' ' ' LEU . 16.5 t70 -97.96 2.85 49.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.473 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.2 37.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -76.93 131.08 38.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -97.4 -78.89 0.47 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.637 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -50.93 153.11 1.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.1 -47.1 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.441 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -52.33 -48.6 65.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.778 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.99 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.71 -29.4 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -82.93 -20.27 35.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.384 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -53.85 -47.4 71.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.461 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.47 HG13 ' N ' ' B' ' 58' ' ' MET . 6.9 p -62.21 -40.22 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.47 ' N ' HG13 ' B' ' 57' ' ' VAL . 64.0 mtt -72.42 -24.59 61.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.466 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -50.52 -37.1 37.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.568 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -62.02 -37.12 83.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.508 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 45.6 mt -77.33 -34.77 55.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.49 -41.55 98.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -67.35 -44.25 79.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.647 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.484 ' N ' ' ND2' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -172.21 113.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.2 56.04 3.97 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 50.6 p30 -155.35 143.36 20.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.25 -148.94 18.79 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 0.1 OUTLIER -144.51 173.35 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.745 0.307 . . . . 0.0 110.505 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.1 t -134.76 133.15 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 47.9 t0 -82.67 159.64 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.484 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.536 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 85.7 t80 -49.93 -51.57 40.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.481 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -59.08 -41.61 88.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -71.31 -18.58 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.356 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -83.65 -59.31 2.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.423 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.519 HG23 ' N ' ' B' ' 76' ' ' VAL . 33.9 m -50.75 -44.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.975 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.531 HG13 ' N ' ' B' ' 77' ' ' LEU . 9.5 p -63.42 -42.77 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.793 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.531 ' N ' HG13 ' B' ' 76' ' ' VAL . 3.6 tp -60.9 -38.82 87.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.622 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.413 ' O ' ' OG1' ' B' ' 82' ' ' THR . 75.6 t -62.18 -23.84 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.522 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.81 -19.47 30.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.784 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.05 -64.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.593 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -62.89 -20.04 64.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.883 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.497 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 34.7 m -73.7 -43.39 59.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 79' ' ' ALA . 76.4 t -66.44 -36.4 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.629 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.81 77.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.741 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' B' ' 82' ' ' THR . 24.5 p -92.31 -29.6 16.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.826 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' B' ' 85' ' ' CYS . 39.0 t30 -35.33 -83.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 85' ' ' CYS . 39.2 m-20 59.74 53.14 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -72.21 -76.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.563 ' CE2' ' OH ' ' A' ' 26' ' ' TYR . 67.0 t80 -84.15 -29.57 26.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.827 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -42.57 -41.61 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.575 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -96.07 144.67 26.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.473 ' O ' ' O ' ' B' ' 93' ' ' SER . 28.8 p-10 -65.66 174.39 2.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.513 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.473 ' O ' ' O ' ' B' ' 92' ' ' ASN . 49.6 m . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.58 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.36 161.23 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.33 -35.07 76.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.9 tp -74.34 -36.07 63.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.99 -44.73 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.67 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 t -78.63 -20.85 49.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.658 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.58 -43.58 68.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.4 mmm -74.28 -31.6 62.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.21 -28.8 70.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.0 m -73.12 -34.36 66.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.645 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.05 -57.33 6.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 12' ' ' ILE . 4.0 tt -57.76 -30.48 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.676 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -56.01 -38.06 69.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.498 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.9 t -81.31 -40.35 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.635 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -59.38 -59.09 6.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.528 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -55.67 -29.75 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.501 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.93 85.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -94.38 -22.94 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.609 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 p -61.82 -29.39 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.664 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.59 -146.96 0.12 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt 57.91 -144.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.476 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -83.89 161.93 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.13 -170.24 41.0 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.48 140.13 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.502 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -85.36 -19.68 31.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.628 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -100.54 -43.28 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.651 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -91.6 160.36 15.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -134.01 142.91 47.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.43 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -65.19 160.94 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.499 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' NZ ' ' ND2' ' A' ' 64' ' ' ASN . 33.0 ttmt -90.26 -30.02 17.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.635 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -58.07 -42.68 86.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.607 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -60.07 -32.65 71.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 tp -49.58 -52.45 30.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -61.2 -25.55 67.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -83.87 -49.06 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.216 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -73.86 -26.85 60.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.129 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.65 -64.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.372 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 42' ' ' SER . 50.3 mt-30 -64.38 -52.63 57.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.696 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 m -46.23 -49.04 17.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.619 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.19 -37.94 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.568 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.84 -80.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.754 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' GLN . 4.1 m 51.09 42.41 28.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.535 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.05 -45.03 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -60.2 -32.0 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.782 0.325 . . . . 0.0 110.726 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.67 -26.99 50.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.349 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -77.86 1.88 19.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.493 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.66 46.13 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.14 162.69 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -138.07 -77.76 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 54' ' ' VAL . 88.7 m-20 -49.36 135.21 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.644 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -93.96 -52.25 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.483 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 24.7 p-10 -53.47 -54.82 31.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.671 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.12 -42.91 66.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.711 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 50' ' ' ASP . 87.5 t -67.95 -27.26 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -71.58 -34.6 70.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.755 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.73 -61.89 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.457 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -50.15 -38.74 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.643 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.6 mtt -69.94 -37.18 75.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.513 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -58.32 -36.85 74.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.562 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 70.0 mm-40 -55.73 -38.57 69.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.465 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' GLY . 40.1 mt -71.04 -38.06 72.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.355 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.15 -39.4 93.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.67 -37.28 85.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.586 ' ND2' ' NZ ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -157.37 72.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.773 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -59.19 -39.03 93.99 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.12 131.64 40.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.71 -175.96 32.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -121.81 158.16 29.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.719 0.295 . . . . 0.0 110.596 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.9 156.07 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.554 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -97.66 -173.63 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.494 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 74' ' ' TYR . 50.9 t80 -52.92 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' VAL . 34.1 mt-30 -38.62 -63.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.756 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -47.68 -24.47 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.397 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.54 ' N ' ' O ' ' A' ' 71' ' ' PHE . 2.5 t80 -99.94 -18.52 17.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -78.16 -36.92 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.581 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.532 HG13 ' N ' ' A' ' 77' ' ' LEU . 10.7 p -81.54 -42.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.532 ' N ' HG13 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -49.64 -50.2 44.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.524 -179.816 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.11 -27.58 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.92 -19.45 30.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.99 -65.12 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.229 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.8 pt? -61.25 -20.09 62.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.892 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -69.3 -50.16 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.696 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.98 -32.39 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.06 -19.13 60.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.814 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 m -127.55 28.34 5.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.742 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -68.08 -58.76 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.53 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.4 t30 55.42 47.95 20.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -96.39 -77.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -87.23 -29.05 21.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.611 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -45.19 -28.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.648 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.27 135.87 49.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.531 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -105.15 24.13 12.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.693 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 91.1 p . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.576 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.51 161.21 23.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.21 -35.12 76.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 50.0 tp -74.36 -36.07 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.0 -44.64 92.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.743 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.3 t -78.67 -20.8 49.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.647 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.58 -43.59 68.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.4 mmm -74.38 -31.53 62.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.504 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.32 -28.75 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.625 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.7 m -73.11 -34.48 66.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 mt -68.03 -57.28 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.658 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 tt -57.79 -30.56 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -55.91 -38.12 69.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.9 t -81.34 -40.19 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.751 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -59.48 -59.0 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -55.66 -29.82 59.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.0 86.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.518 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -94.36 -22.86 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.655 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.4 p -61.84 -29.35 70.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.64 -146.89 0.12 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt 57.88 -144.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.613 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -83.98 161.91 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.24 -170.25 40.81 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -62.51 140.06 58.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.804 0.335 . . . . 0.0 110.566 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -85.32 -19.72 31.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -100.4 -43.33 6.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.73 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -91.58 160.29 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.702 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -133.92 142.92 47.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.512 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -65.16 161.02 19.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.585 ' NZ ' ' ND2' ' B' ' 64' ' ' ASN . 33.0 ttmt -90.31 -29.91 17.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -58.18 -42.67 86.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -60.1 -32.59 71.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.506 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 tp -49.62 -52.44 30.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -61.2 -25.55 67.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.436 ' O ' ' OG1' ' B' ' 39' ' ' THR . 79.6 mm-40 -83.83 -49.14 9.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -73.85 -26.75 60.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.119 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.61 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.352 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.482 ' O ' ' OG ' ' B' ' 42' ' ' SER . 50.3 mt-30 -64.36 -52.59 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.74 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 9.4 m -46.2 -49.11 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.14 -37.94 57.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.4 mt -95.9 -80.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.689 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 4.1 m 51.07 42.42 28.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.554 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.13 -44.96 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -60.17 -32.14 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 110.702 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.59 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -77.62 -26.91 50.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.383 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -77.91 1.85 19.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.61 46.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -90.09 162.64 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -137.96 -77.63 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.645 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.463 ' O ' HG23 ' B' ' 54' ' ' VAL . 88.9 m-20 -49.52 135.35 18.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.606 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -93.94 -52.35 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.467 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 24.8 p-10 -53.4 -54.92 29.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.05 -42.96 66.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.692 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 50' ' ' ASP . 88.7 t -67.97 -27.17 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.598 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -71.51 -34.7 70.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.749 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.67 -61.85 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.51 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -50.25 -38.79 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.603 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 48.5 mtt -69.91 -37.15 75.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -58.29 -36.91 74.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.625 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.559 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 70.1 mm-40 -55.61 -38.63 69.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.508 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' B' ' 65' ' ' GLY . 39.9 mt -71.01 -38.02 72.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.398 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -64.2 -39.36 93.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.76 -37.16 85.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.681 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.585 ' ND2' ' NZ ' ' B' ' 30' ' ' LYS . 0.1 OUTLIER -157.37 72.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.727 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -59.25 -38.99 94.02 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.09 131.7 40.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.497 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.6 -176.01 32.52 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -121.85 158.18 29.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.789 0.328 . . . . 0.0 110.502 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.94 156.1 25.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -97.71 -173.64 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.55 ' O ' ' N ' ' B' ' 74' ' ' TYR . 50.6 t80 -52.9 -73.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' B' ' 75' ' ' VAL . 34.0 mt-30 -38.49 -63.08 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -47.78 -24.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.55 ' N ' ' O ' ' B' ' 71' ' ' PHE . 2.5 t80 -99.93 -18.57 17.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -78.13 -37.02 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.481 -179.569 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.544 HG13 ' N ' ' B' ' 77' ' ' LEU . 10.7 p -81.41 -42.83 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.544 ' N ' HG13 ' B' ' 76' ' ' VAL . 0.2 OUTLIER -49.78 -50.07 46.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.552 -179.795 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.15 -27.72 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.68 -19.52 30.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.12 -64.88 0.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.221 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.591 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.8 pt? -61.35 -20.21 62.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.871 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -69.21 -50.13 50.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.705 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.03 -32.44 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.04 -19.08 60.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.803 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 m -127.64 28.4 5.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.745 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -68.02 -58.78 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.605 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.5 t30 55.37 47.93 20.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -96.26 -77.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.701 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -87.3 -29.07 21.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.615 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -45.12 -28.71 0.78 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.62 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -55.37 135.94 49.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.519 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -105.3 24.33 12.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.647 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 91.1 p . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.545 179.913 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.7 OUTLIER 84.24 125.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 110.637 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -57.99 -34.96 70.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.65 -35.42 76.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.4 -50.47 73.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.677 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.39 -21.23 39.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.725 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.76 -41.33 43.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.469 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.4 mmm -74.66 -30.58 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.596 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.74 -29.42 70.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.0 m -75.04 -34.66 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.05 -56.05 13.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.721 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 tt -61.55 -23.1 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -56.53 -37.77 70.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.699 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.5 t -85.3 -29.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.66 -61.91 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.734 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.516 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.7 p80 -58.18 -20.56 42.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -70.05 -50.61 39.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.673 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -79.85 -38.11 33.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -57.38 -31.38 65.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.37 35.94 4.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 22' ' ' GLU . 80.0 tttt -146.08 115.56 7.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.624 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 21' ' ' LYS . 97.4 mt-10 46.11 100.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.571 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.6 -142.44 13.74 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.59 -178.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 0.0 110.641 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -106.08 -20.92 13.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.729 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -143.52 12.96 1.74 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.811 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -128.75 132.88 47.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.341 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.587 HD11 ' OE1' ' A' ' 32' ' ' GLN . 35.5 tp -97.18 132.54 42.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.592 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.7 p -74.97 165.68 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.554 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.447 ' HZ1' ' H ' ' A' ' 65' ' ' GLY . 9.8 mtmp? -90.28 -5.59 56.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.638 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -81.18 -23.43 38.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.587 ' OE1' HD11 ' A' ' 28' ' ' LEU . 83.7 mt-30 -82.87 -39.5 21.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 37' ' ' LEU . 6.1 mt -45.74 -21.62 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 32' ' ' GLN . 22.1 mtpp -63.1 -61.06 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.801 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.6 -40.69 17.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.728 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -44.35 -53.93 6.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.336 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 33' ' ' LEU . 5.9 mt -52.54 -65.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 0.0 110.96 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -57.68 -55.5 34.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.011 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.9 m -42.61 -49.68 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -73.77 -46.59 44.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.403 ' CD1' HD11 ' A' ' 81' ' ' LEU . 79.9 mt -78.52 -87.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.627 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.423 ' HA ' HD21 ' A' ' 45' ' ' LEU . 1.4 p 62.83 37.49 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.462 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.72 -46.77 0.03 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -65.84 -39.01 90.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.749 0.309 . . . . 0.0 110.621 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.423 HD21 ' HA ' ' A' ' 42' ' ' SER . 2.9 pp -68.77 -14.1 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.56 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -83.65 7.84 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.73 70.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.635 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -93.82 111.73 23.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.627 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -83.47 -62.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -67.4 179.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.571 HG13 ' N ' ' A' ' 52' ' ' ASP . 7.7 p -139.35 -45.84 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.571 ' N ' HG13 ' A' ' 51' ' ' VAL . 4.0 p30 -61.77 -41.43 97.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.653 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.28 62.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.574 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.74 -29.41 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 55' ' ' ASP . 39.1 t0 -82.87 -20.31 35.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.427 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -54.74 -54.04 47.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.412 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 58' ' ' MET . 9.8 p -58.74 -41.79 83.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.517 ' N ' HG13 ' A' ' 57' ' ' VAL . 63.3 mtt -66.22 -39.37 89.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -59.35 -34.52 72.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -51.34 -40.16 58.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.619 ' N ' HD12 ' A' ' 61' ' ' LEU . 9.6 mp -70.33 -40.15 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.66 -40.41 75.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.597 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.73 -9.85 40.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.46 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -139.04 -91.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' H ' ' HZ1' ' A' ' 30' ' ' LYS . . . 94.35 6.07 61.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -177.09 112.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.614 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.48 -155.48 25.04 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -135.4 165.56 25.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.791 0.329 . . . . 0.0 110.49 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 m -139.33 155.95 26.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -97.17 174.68 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.36 -43.45 96.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' VAL . 33.0 mt-30 -62.0 -34.05 75.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -81.02 -24.61 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.63 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.442 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.5 t80 -73.72 -38.71 64.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.483 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.11 -33.36 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.319 . . . . 0.0 110.806 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.8 t -60.54 -51.55 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.699 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.74 -49.99 75.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.437 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 74' ' ' TYR . 74.9 t -52.37 -35.8 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.662 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.86 -20.45 29.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.731 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.33 -64.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.167 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -64.15 -20.19 65.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.973 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 58.7 m -66.95 -53.74 28.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.31 -38.38 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.61 92.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 81.1 m -94.69 10.97 32.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -89.76 111.13 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.414 HD21 ' HB2' ' A' ' 91' ' ' GLU . 19.1 t-20 -100.26 49.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -67.73 -47.9 68.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.588 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 80.2 t80 -143.68 2.83 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -73.98 52.33 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.5 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.414 ' HB2' HD21 ' A' ' 87' ' ' ASN . 84.8 tt0 -150.94 150.69 31.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.486 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.721 HD22 ' N ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -69.57 117.05 10.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.721 ' N ' HD22 ' A' ' 92' ' ' ASN . 33.7 m . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.58 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.538 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 0.7 OUTLIER 84.36 125.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.57 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.11 -34.9 70.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.462 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.71 -35.39 76.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.436 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.42 -50.45 73.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.35 -21.35 39.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.729 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.79 -41.24 44.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.432 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.5 mmm -74.59 -30.73 61.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.581 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.76 -29.4 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.1 m -74.98 -34.79 62.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.03 -56.04 13.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.801 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 tt -61.36 -23.29 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.664 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -56.5 -37.76 70.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.5 t -85.33 -29.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.64 -61.92 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.784 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.524 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 4.8 p80 -58.12 -20.62 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.417 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -69.94 -50.65 39.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.689 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -79.85 -38.12 33.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.747 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -57.39 -31.41 65.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.4 36.06 4.0 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' B' ' 22' ' ' GLU . 80.0 tttt -146.08 115.45 7.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.65 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' B' ' 21' ' ' LYS . 97.4 mt-10 46.13 100.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.628 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.56 -142.49 13.79 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.53 -178.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.629 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -106.12 -20.92 13.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -143.46 12.89 1.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -128.69 132.85 48.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.457 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.599 HD11 ' OE1' ' B' ' 32' ' ' GLN . 35.3 tp -97.14 132.54 42.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 96.3 p -74.98 165.78 24.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.507 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.419 ' HZ1' ' H ' ' B' ' 65' ' ' GLY . 9.8 mtmp? -90.47 -5.54 55.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -81.18 -23.36 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.599 ' OE1' HD11 ' B' ' 28' ' ' LEU . 83.6 mt-30 -82.97 -39.48 21.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.61 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.468 ' O ' HD12 ' B' ' 37' ' ' LEU . 6.1 mt -45.81 -21.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.451 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' B' ' 32' ' ' GLN . 22.1 mtpp -63.27 -60.88 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.69 -40.54 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.753 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -44.44 -53.99 6.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.354 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 33' ' ' LEU . 5.9 mt -52.47 -65.7 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.985 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -57.84 -55.33 36.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.003 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 40.6 m -42.72 -49.56 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -73.8 -46.6 44.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.802 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 79.4 mt -78.53 -87.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.421 ' HA ' HD21 ' B' ' 45' ' ' LEU . 1.4 p 62.68 37.53 12.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.481 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.68 -46.96 0.03 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -65.78 -38.94 90.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.69 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.421 HD21 ' HA ' ' B' ' 42' ' ' SER . 2.9 pp -68.79 -14.09 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -83.71 7.83 16.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.71 70.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -93.78 111.77 23.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -83.57 -62.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -67.44 179.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.529 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.574 HG13 ' N ' ' B' ' 52' ' ' ASP . 7.7 p -139.32 -45.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.615 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.574 ' N ' HG13 ' B' ' 51' ' ' VAL . 4.0 p30 -61.63 -41.48 97.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.635 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.3 -31.21 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.74 -29.38 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 55' ' ' ASP . 39.1 t0 -82.85 -20.38 35.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -54.68 -54.04 46.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.438 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.509 HG13 ' N ' ' B' ' 58' ' ' MET . 9.8 p -58.76 -41.75 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.712 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.509 ' N ' HG13 ' B' ' 57' ' ' VAL . 63.4 mtt -66.34 -39.36 89.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.563 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.29 -34.62 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.481 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -51.33 -40.03 58.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.625 HD12 ' N ' ' B' ' 61' ' ' LEU . 9.6 mp -70.52 -40.02 73.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.634 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.72 -40.45 75.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.508 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.64 -9.97 41.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.486 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -138.9 -91.65 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.419 ' H ' ' HZ1' ' B' ' 30' ' ' LYS . . . 94.33 6.06 61.6 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -176.99 112.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.45 -155.41 24.93 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -135.5 165.56 25.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 110.448 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 m -139.35 155.99 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -97.27 174.57 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.583 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -60.28 -43.47 96.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.685 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.514 ' O ' HG23 ' B' ' 76' ' ' VAL . 33.0 mt-30 -62.01 -34.03 75.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -81.08 -24.59 37.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.594 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.446 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.5 t80 -73.69 -38.81 64.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.436 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -71.02 -33.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.759 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 72' ' ' GLN . 53.7 t -60.52 -51.72 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.649 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.6 -50.01 75.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.474 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 74' ' ' TYR . 74.7 t -52.32 -35.86 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.74 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.79 -20.57 29.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.24 -64.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.587 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -64.37 -20.09 65.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.978 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 58.9 m -66.92 -53.67 29.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.583 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.39 -38.38 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.63 93.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.498 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 80.6 m -94.71 11.03 32.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -89.86 111.05 21.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.66 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.415 HD21 ' HB2' ' B' ' 91' ' ' GLU . 19.0 t-20 -100.2 49.63 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.538 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -67.86 -47.74 68.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' B' ' 89' ' ' PHE . 80.3 t80 -143.76 2.84 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -74.07 52.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.495 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.415 ' HB2' HD21 ' B' ' 87' ' ' ASN . 84.8 tt0 -150.88 150.66 31.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.73 HD22 ' N ' ' B' ' 93' ' ' SER . 0.3 OUTLIER -69.61 117.04 10.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.547 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.73 ' N ' HD22 ' B' ' 92' ' ' ASN . 34.5 m . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.602 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 m -75.35 156.76 35.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.511 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -63.12 -26.63 68.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.13 -27.7 55.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.15 -56.11 19.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.732 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 t -78.94 -20.83 48.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.678 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.31 -45.97 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.48 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mmm -72.67 -30.18 64.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.568 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.08 -28.4 69.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.621 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.4 m -73.37 -30.99 63.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.09 -55.27 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.763 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.6 tt -63.01 -25.92 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -55.76 -37.98 69.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.29 -27.52 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.699 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CZ ' ' O ' ' A' ' 70' ' ' ASP . 55.8 t80 -64.96 -62.1 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.725 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.518 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 4.2 p80 -59.46 -23.69 62.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.453 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -68.08 -38.16 82.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.706 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -89.62 -30.57 18.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.756 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 21' ' ' LYS . 7.8 p -70.17 -20.68 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.22 16.4 4.71 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 19' ' ' SER . 24.5 mtpp -100.28 173.9 6.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.853 0.359 . . . . 0.0 110.569 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.35 146.14 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.678 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.84 -115.22 2.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -72.6 -28.55 62.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 7.7 mtpp 63.63 7.95 3.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.566 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.427 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 82.2 m-85 -154.96 -38.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.582 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -102.04 154.55 18.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.6 tp -104.07 133.38 49.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.46 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 t -61.27 -138.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -140.85 -47.38 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' O ' ' OE1' ' A' ' 35' ' ' GLU . 47.2 mtmt -66.96 -22.73 65.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.507 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -70.43 -27.6 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.794 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.07 -48.24 81.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.768 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -50.7 -25.27 4.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.577 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 10.6 mp0 -83.32 -57.36 3.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.108 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.96 -28.85 68.62 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.903 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mt -54.51 -51.95 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.136 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -72.25 -44.66 62.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.11 -43.99 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -72.7 -39.17 67.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 42' ' ' SER . 89.0 mt -90.57 -101.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.525 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 1.1 t 79.05 41.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.42 -55.91 0.02 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.495 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 56.0 m-85 -62.77 -41.98 99.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.633 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.657 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -67.89 -37.33 81.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.263 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -62.11 -13.68 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.0 65.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.06 134.92 41.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -101.29 -43.64 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.657 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -72.86 149.71 43.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.16 -59.34 3.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.462 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.79 -43.6 63.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.97 86.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.714 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.99 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.647 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.84 -20.3 35.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.395 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -58.7 -47.84 83.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.429 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 57' ' ' VAL . 2.5 p -67.21 -33.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.0 mmm -68.01 -28.98 67.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.55 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -53.7 -35.15 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.611 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 64' ' ' ASN . 86.2 mt-10 -53.1 -39.16 63.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.629 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 mt -62.48 -41.16 98.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -72.24 -46.31 56.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.437 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -74.33 -57.28 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.529 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 60' ' ' GLU . 32.9 m-80 -93.11 -117.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.48 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.19 12.62 83.02 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -147.02 71.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.513 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.78 -160.53 25.49 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -145.77 172.8 12.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.557 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.4 m -134.26 159.93 41.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.519 ' O ' ' CZ ' ' A' ' 15' ' ' PHE . 86.4 m-20 -93.41 -68.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.615 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -166.0 -42.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.679 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 76' ' ' VAL . 35.4 mt-30 -64.39 -47.86 77.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.34 -19.67 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.407 ' CZ ' HG21 ' A' ' 78' ' ' VAL . 7.8 t80 -76.07 -57.89 3.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.339 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 m -52.04 -25.95 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.665 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 72' ' ' GLN . 58.8 t -62.79 -45.11 99.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.636 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 7.6 mp -67.41 -46.67 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.498 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.407 HG21 ' CZ ' ' A' ' 74' ' ' TYR . 98.7 t -53.3 -34.59 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.732 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.63 -19.34 31.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.751 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.77 -64.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 81' ' ' LEU . 1.7 pt? -63.47 -20.02 65.23 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.896 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.412 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 54.4 m -71.45 -43.68 66.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.517 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 79' ' ' ALA . 75.5 t -63.35 -33.99 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.738 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.02 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.709 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 23.6 p -93.17 -43.15 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.674 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.523 ' ND2' ' CE1' ' A' ' 88' ' ' PHE . 9.1 t-20 -39.55 116.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.703 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 89' ' ' PHE . 62.1 t30 -97.89 -72.18 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.514 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.523 ' CE1' ' ND2' ' A' ' 86' ' ' ASN . 20.0 m-85 53.42 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.62 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 46.1 t80 -151.36 17.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.64 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -87.78 18.61 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -136.69 143.39 43.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.579 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -94.01 165.18 12.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.471 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.631 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -75.37 156.77 35.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.491 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -63.12 -26.62 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.18 -27.65 55.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.22 -56.05 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.781 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -78.95 -20.84 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.656 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.32 -45.97 65.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mmm -72.63 -30.15 64.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.54 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -65.21 -28.43 69.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.1 m -73.29 -30.95 63.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.702 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.18 -55.17 13.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.405 HG21 HD13 ' B' ' 12' ' ' ILE . 3.7 tt -63.12 -25.93 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.758 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -55.76 -37.97 69.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.26 -27.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.685 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' B' ' 70' ' ' ASP . 55.4 t80 -64.91 -62.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.53 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 4.3 p80 -59.39 -23.75 62.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.652 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.457 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -68.1 -38.05 81.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.768 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -89.63 -30.62 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.417 ' C ' ' H ' ' B' ' 21' ' ' LYS . 7.8 p -70.1 -20.75 63.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.711 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.21 16.39 4.71 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' B' ' 19' ' ' SER . 24.6 mtpp -100.34 173.81 6.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 110.6 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.31 146.21 19.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.648 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.82 -115.28 2.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -72.58 -28.47 62.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 0.0 110.534 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.448 ' HZ2' ' HB3' ' B' ' 25' ' ' LYS . 7.7 mtpp 63.68 7.89 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.437 ' CG ' ' O ' ' B' ' 25' ' ' LYS . 82.1 m-85 -154.97 -38.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -102.09 154.39 19.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 46.6 tp -103.91 133.43 48.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.5 t -61.36 -138.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -140.73 -47.4 0.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.517 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.486 ' O ' ' OE1' ' B' ' 35' ' ' GLU . 47.1 mtmt -66.82 -22.89 65.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.553 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -70.39 -27.55 64.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.13 -48.22 81.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.712 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -50.59 -25.38 4.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.587 ' OE1' ' N ' ' B' ' 35' ' ' GLU . 10.6 mp0 -83.22 -57.4 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.94 -28.75 68.54 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.95 -179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -54.7 -51.8 64.41 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.117 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -72.31 -44.65 62.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.12 -43.91 91.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.73 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -72.83 -39.15 66.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' B' ' 81' ' ' LEU . 88.9 mt -90.53 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.466 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 1.0 OUTLIER 79.07 41.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.547 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.38 -55.84 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.562 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 56.0 m-85 -62.82 -41.99 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.699 0.285 . . . . 0.0 110.661 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.658 ' H ' HD23 ' B' ' 45' ' ' LEU . 0.1 OUTLIER -67.9 -37.24 81.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.303 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -62.05 -13.83 30.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.9 65.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.708 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.07 134.9 41.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.466 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.44 ' NZ ' ' O ' ' B' ' 85' ' ' CYS . 13.1 pttm -101.35 -43.66 5.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.584 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -72.83 149.75 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.518 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.17 -59.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.83 -43.51 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.698 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.99 86.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.651 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.01 -31.41 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.88 -20.26 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.364 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -58.66 -47.96 82.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.368 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.23 -33.06 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mmm -68.1 -28.88 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.604 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -53.8 -35.17 61.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' B' ' 64' ' ' ASN . 86.3 mt-10 -52.99 -39.2 62.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.647 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.45 -41.28 98.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -72.2 -46.26 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.445 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -74.36 -57.2 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.556 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' B' ' 60' ' ' GLU . 32.6 m-80 -93.18 -117.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.47 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.13 12.61 83.08 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -147.06 71.58 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.878 0.371 . . . . 0.0 110.47 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.8 -160.57 25.58 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -145.8 172.76 12.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.585 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.1 m -134.24 159.91 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.517 ' O ' ' CZ ' ' B' ' 15' ' ' PHE . 86.2 m-20 -93.44 -68.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -165.92 -42.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.625 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.539 ' O ' HG23 ' B' ' 76' ' ' VAL . 35.4 mt-30 -64.44 -47.85 77.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.717 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.25 -19.74 64.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.412 ' CZ ' HG21 ' B' ' 78' ' ' VAL . 7.8 t80 -76.13 -57.77 3.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.415 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 m -52.01 -26.11 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 72' ' ' GLN . 59.1 t -62.74 -45.06 99.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.625 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.448 ' N ' HD12 ' B' ' 77' ' ' LEU . 7.6 mp -67.36 -46.64 72.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' B' ' 74' ' ' TYR . 98.8 t -53.35 -34.64 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.693 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.493 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.5 -19.49 31.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.751 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.78 -64.7 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.28 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.575 HD23 ' N ' ' B' ' 81' ' ' LEU . 1.7 pt? -63.56 -20.07 65.34 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.94 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.412 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 53.3 m -71.29 -43.79 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.471 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 79' ' ' ALA . 74.2 t -63.46 -33.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.591 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.04 75.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.71 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 23.4 p -93.12 -43.19 8.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.685 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.529 ' ND2' ' CE1' ' B' ' 88' ' ' PHE . 9.1 t-20 -39.54 116.37 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.648 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' B' ' 89' ' ' PHE . 61.9 t30 -97.92 -72.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.529 ' CE1' ' ND2' ' B' ' 86' ' ' ASN . 20.0 m-85 53.19 -80.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.768 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' B' ' 89' ' ' PHE . 46.2 t80 -151.42 17.64 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -87.77 18.71 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.66 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -136.73 143.28 43.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.596 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -93.97 165.22 12.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.461 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.596 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.718 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -81.76 162.11 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 52.5 mp0 -59.4 -29.19 67.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.434 HD11 HD23 ' B' ' 11' ' ' LEU . 42.9 tp -68.69 -33.79 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.29 -43.72 97.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.776 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 t -84.09 -20.99 31.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.623 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.88 -41.49 33.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.4 mmm -70.13 -34.79 73.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.59 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.27 -23.3 66.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.602 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.4 m -73.54 -35.13 65.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.669 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD23 HD11 ' B' ' 4' ' ' LEU . 11.0 mt -76.51 -44.67 34.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.642 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -63.58 -39.25 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.365 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.427 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 53.2 t-20 -56.8 -54.94 40.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.03 -32.92 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.721 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -51.37 -52.37 46.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.653 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.509 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 5.1 p80 -74.64 -23.57 58.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.707 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.482 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -65.66 -29.81 70.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.692 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -89.98 -49.21 6.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.811 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.7 t -60.46 -14.4 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.667 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.11 -58.44 2.33 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -60.37 -51.72 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.675 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -139.73 173.05 11.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.624 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.85 -169.44 40.55 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.91 169.35 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -59.52 -65.41 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -104.43 -31.37 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.728 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -82.98 176.99 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.576 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -142.48 133.24 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -84.42 173.69 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.687 -179.818 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' N ' ' OG ' ' A' ' 29' ' ' SER . 57.2 mttm -82.0 -37.56 26.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.665 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -52.58 -38.79 60.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -72.01 -37.34 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.477 HD21 ' CD1' ' A' ' 74' ' ' TYR . 7.2 mt -57.23 -59.33 5.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.668 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -47.68 -25.35 1.17 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.704 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -83.77 -57.38 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.313 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.35 -28.74 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.154 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.37 -52.52 64.27 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.451 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' SER . 85.1 mt-30 -65.82 -38.26 88.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.7 m -65.97 -48.1 72.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.57 -49.21 56.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.797 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.3 mt -76.07 -61.46 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.721 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.6 p 39.52 36.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.577 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.99 -62.89 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -49.35 -44.01 44.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.649 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.25 -26.97 66.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.453 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -78.96 4.07 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.8 -77.28 0.59 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.52 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 52.55 58.05 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -52.51 -42.82 64.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.657 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.73 179.98 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 52' ' ' ASP . 2.9 p -138.29 -41.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 51' ' ' VAL . 90.9 m-20 -63.42 -58.04 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.545 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.23 -39.81 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.579 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.49 -30.54 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.418 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -67.12 -44.02 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.696 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -53.92 -64.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.504 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 58' ' ' MET . 5.6 p -49.49 -40.01 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.607 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.417 ' N ' HG13 ' A' ' 57' ' ' VAL . 6.0 ttp -71.42 -35.44 70.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.88 -27.82 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.745 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -49.02 -37.93 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.645 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.69 -42.64 84.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.17 -40.84 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.524 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.0 -28.9 70.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -128.81 -92.18 0.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.497 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.67 14.27 42.63 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -157.34 47.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 110.546 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.63 155.61 26.65 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 mp0 -92.31 161.33 14.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -131.09 149.98 34.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -95.19 171.22 8.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.589 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.412 ' O ' HG22 ' A' ' 75' ' ' VAL . 68.8 t80 -49.51 -42.8 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.678 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.87 -46.05 83.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.783 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.76 -18.65 63.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.935 0.398 . . . . 0.0 110.245 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.477 ' CD1' HD21 ' A' ' 33' ' ' LEU . 6.1 t80 -82.18 -63.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.459 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.552 HG23 ' N ' ' A' ' 76' ' ' VAL . 28.7 m -45.22 -47.93 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.721 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.552 ' N ' HG23 ' A' ' 75' ' ' VAL . 6.8 p -63.39 -30.04 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.526 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -59.4 -46.69 87.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.446 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.36 -33.83 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.617 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -59.1 -19.56 45.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.31 -63.13 1.47 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.942 0.401 . . . . 0.0 110.187 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.831 HD23 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -54.54 -23.77 17.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.828 179.73 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.831 ' N ' HD23 ' A' ' 81' ' ' LEU . 91.3 m -75.27 -48.45 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.625 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 79' ' ' ALA . 72.5 t -64.46 -28.74 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.04 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 99.1 m -93.69 -42.23 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.571 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -77.27 96.9 4.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.773 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.504 HD22 ' N ' ' A' ' 87' ' ' ASN . 1.1 m-80 -103.08 97.82 7.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.426 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 6.5 t80 -80.25 -18.81 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 31.0 m-85 -162.43 -7.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.529 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.412 ' H ' ' H ' ' A' ' 89' ' ' PHE . 75.4 m95 -65.75 -42.35 91.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.431 ' H ' ' HB3' ' A' ' 87' ' ' ASN . 35.5 tp10 -150.06 128.19 11.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.729 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.462 ' O ' ' O ' ' A' ' 93' ' ' SER . 0.7 OUTLIER 42.3 53.52 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.622 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 92' ' ' ASN . 4.4 t . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.551 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -81.79 162.14 23.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.572 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 52.4 mp0 -59.32 -29.33 67.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.593 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.433 HD11 HD23 ' A' ' 11' ' ' LEU . 42.9 tp -68.59 -33.81 74.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.748 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.24 -43.81 97.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -83.93 -21.07 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.683 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.93 -41.48 33.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.554 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 73.3 mmm -70.09 -34.85 73.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.608 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.29 -23.21 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.9 m -73.53 -35.3 65.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.434 HD23 HD11 ' A' ' 4' ' ' LEU . 11.1 mt -76.37 -44.73 35.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.731 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.654 HD13 ' O ' ' B' ' 12' ' ' ILE . 0.2 OUTLIER -63.67 -39.21 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.289 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.421 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 53.2 t-20 -56.71 -55.07 38.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.811 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.98 -32.93 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.769 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -51.39 -52.23 47.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.665 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.516 ' ND1' ' C ' ' B' ' 16' ' ' HIS . 5.1 p80 -74.75 -23.56 58.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.485 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -65.72 -29.65 70.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.759 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -90.05 -49.31 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.726 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -60.42 -14.43 18.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.663 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.14 -58.33 2.34 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -60.43 -51.65 68.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 110.668 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -139.77 173.11 11.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.654 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.81 -169.51 40.72 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -62.83 169.3 3.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.582 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -59.54 -65.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.718 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -104.33 -31.33 9.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -83.01 177.04 8.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -142.52 133.15 25.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.422 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' B' ' 30' ' ' LYS . 0.3 OUTLIER -84.42 173.64 10.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.787 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.47 ' N ' ' OG ' ' B' ' 29' ' ' SER . 57.2 mttm -81.93 -37.55 26.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.67 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -52.66 -38.61 60.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.653 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -72.19 -37.23 69.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.771 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.471 HD21 ' CD1' ' B' ' 74' ' ' TYR . 7.2 mt -57.24 -59.43 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.649 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -47.5 -25.48 1.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.719 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -83.74 -57.4 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.281 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.33 -28.84 68.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.169 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.19 -52.59 63.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.358 . . . . 0.0 110.432 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' B' ' 42' ' ' SER . 85.2 mt-30 -65.94 -38.19 88.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.699 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.5 m -66.1 -48.11 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.78 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -69.47 -49.3 56.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' B' ' 42' ' ' SER . 75.0 mt -76.0 -61.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.754 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.435 ' N ' ' O ' ' B' ' 38' ' ' GLN . 2.6 p 39.52 36.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.95 -62.83 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -49.3 -44.06 43.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.6 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.15 -27.17 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -78.85 4.13 14.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.622 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.82 -77.34 0.59 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.482 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 52.46 58.12 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.614 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -52.61 -42.78 64.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.88 179.94 6.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.419 HG13 ' N ' ' B' ' 52' ' ' ASP . 2.9 p -138.21 -41.89 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.499 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.419 ' N ' HG13 ' B' ' 51' ' ' VAL . 90.8 m-20 -63.49 -58.04 8.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.496 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.84 70.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.1 t -65.33 -30.55 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.485 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -67.12 -44.13 80.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -53.81 -64.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.512 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.43 HG13 ' N ' ' B' ' 58' ' ' MET . 5.6 p -49.46 -40.04 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.591 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.43 ' N ' HG13 ' B' ' 57' ' ' VAL . 6.0 ttp -71.22 -35.65 71.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.77 -27.85 67.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.756 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -49.02 -37.95 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.666 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 69.5 mt -57.67 -42.73 84.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.488 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -68.14 -40.85 82.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.01 -28.91 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.526 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -128.82 -92.11 0.47 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.437 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.55 14.48 42.77 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -157.5 47.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.58 155.62 26.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.5 mp0 -92.32 161.36 14.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.751 0.31 . . . . 0.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.8 m -131.1 149.98 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -95.19 171.27 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.505 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.415 ' O ' HG22 ' B' ' 75' ' ' VAL . 68.9 t80 -49.52 -42.86 44.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.676 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.8 -46.03 83.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.81 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.81 -18.76 63.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.228 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.471 ' CD1' HD21 ' B' ' 33' ' ' LEU . 6.3 t80 -82.03 -63.95 1.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.571 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.548 HG23 ' N ' ' B' ' 76' ' ' VAL . 28.7 m -45.22 -47.95 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.697 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.548 ' N ' HG23 ' B' ' 75' ' ' VAL . 6.8 p -63.37 -29.97 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.606 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.561 HD13 ' O ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -59.56 -46.55 88.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.472 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.46 -33.75 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.644 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.54 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -59.08 -19.71 46.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.612 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.15 -63.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.813 HD23 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -54.58 -23.71 18.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.866 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.813 ' N ' HD23 ' B' ' 81' ' ' LEU . 91.6 m -75.32 -48.39 23.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 79' ' ' ALA . 72.7 t -64.51 -28.7 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.02 72.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 98.9 m -93.65 -42.17 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -77.32 96.93 4.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.677 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.503 ' N ' HD22 ' B' ' 87' ' ' ASN . 1.1 m-80 -103.06 97.73 7.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.483 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.475 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 6.6 t80 -80.23 -18.71 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.529 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.475 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 31.0 m-85 -162.48 -7.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -65.86 -42.31 90.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.435 ' H ' ' HB3' ' B' ' 87' ' ' ASN . 35.5 tp10 -150.03 128.14 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.759 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.472 ' O ' ' O ' ' B' ' 93' ' ' SER . 0.7 OUTLIER 42.35 53.49 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.672 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.472 ' O ' ' O ' ' B' ' 92' ' ' ASN . 4.4 t . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.537 179.967 . . . . . . . . 1 1 . 1 stop_ save_